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P25116 | PAR1_HUMAN | Proteinase-activated receptor 1 (F2R)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3954641 OBDepict CH 3 N O N O O F F H H 3 C H H CH 3 N Cl IC50 = 0.9 nM 513.97 Cc1nnc(C[C@@]23CC(F)(F)[C@@H](C)[C@H](/C=C/c4ccc(-c5ccccc5Cl)cn4)C2[C@@H](C)OC3=O)o1 Homo sapiens CHEMBL3888452 assay format
CHEMBL4111522 OBDepict N N H H 3 C F F H H 3 C O O HO N S IC50 = 0.9 nM 521.59 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2cscn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3942006 OBDepict O O H H 3 C N N F F H N CH 3 N H CH 3 N Cl IC50 = 1.0 nM 513.98 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2[C@@H](C)OC(=O)[C@]2(Cc2nnnn2C)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3966338 OBDepict NH 2 O O F F H H 3 C H H H 3 C N N CH 3 IC50 = 1.2 nM 451.52 Cc1cccc(-c2ccc(/C=C/[C@@H]3C4[C@@H](C)OC(=O)[C@]4(CN)CC(F)(F)[C@H]3C)nc2)c1C#N Homo sapiens CHEMBL3888452 assay format
CHEMBL3931589 OBDepict O O H H 3 C N N F F H O H CH 3 N Cl IC50 = 1.2 nM 499.95 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2[C@@H](C)OC(=O)[C@]2(Cc2ncon2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3897109 OBDepict N N H H H 3 C H F F H H 3 C O HN O S N IC50 = 1.3 nM 520.61 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2cncs2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4106770 OBDepict N N H H 3 C F F H H 3 C O N O N N CH 3 IC50 = 1.4 nM 489.53 Cc1cn([C@@]23CC(F)(F)C(C)[C@H](/C=C/c4ccc(-c5ccccc5C#N)cn4)C2[C@@H](C)OC3=O)nn1 Homo sapiens CHEMBL3888452 assay format
CHEMBL3933019 OBDepict N N H H H 3 C H H 3 C N H F F O IC50 = 1.5 nM 407.46 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2C(CC1(F)F)C(=O)N[C@@H]2C Homo sapiens CHEMBL3888452 assay format
CHEMBL3937747 OBDepict N N H H H 3 C H H 3 C O F F O IC50 = 1.6 nM 408.45 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2C(CC1(F)F)C(=O)O[C@@H]2C Homo sapiens CHEMBL3888452 assay format
CHEMBL3968240 OBDepict N N H H H 3 C H F F H H 3 C O HN O N S IC50 = 1.6 nM 520.61 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2cscn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4113548 OBDepict N N H H H 3 C H F F H CH 3 O HN O O F IC50 = 1.7 nM 545.56 C[C@H]1OC(=O)[C@]2(NC(=O)c3ccc(F)cc3)CC(F)(F)[C@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]12 Homo sapiens CHEMBL3888452 assay format
CHEMBL442649 OBDepict H 3 C O N H O H H H H H H O O H H 3 C N N Ki = 1.8 nM 499.61 CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C#N)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL4110608 OBDepict N N H H 3 C F F H H 3 C O O HO N O IC50 = 1.9 nM 505.52 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2cocn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3897962 OBDepict N N H H H 3 C H H 3 C O OH F F O IC50 = 2.0 nM 424.45 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3930471 OBDepict CH 3 N N N N O O F F H H 3 C H H CH 3 N Cl IC50 = 2.1 nM 513.98 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2[C@@H](C)OC(=O)[C@]2(Cc2nnn(C)n2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4111197 OBDepict N N H CH 3 F F H CH 3 O NH O N S IC50 = 2.2 nM 520.61 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2nccs2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3927578 OBDepict NH 2 O O F F H H 3 C H H H 3 C N N IC50 = 2.3 nM 437.49 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(CN)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3932907 OBDepict N N H H CH 3 H F F H CH 3 O N H O O IC50 = 2.3 nM 527.57 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2ccccc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4109959 OBDepict N N H CH 3 F F H CH 3 O NH O N O IC50 = 2.4 nM 504.54 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2cocn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3985342 OBDepict N N H H H 3 C H F F H H 3 C O O CH 3 O IC50 = 2.5 nM 438.47 CO[C@@]12CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]1[C@@H](C)OC2=O Homo sapiens CHEMBL3888452 assay format
CHEMBL4113709 OBDepict N N H H 3 C F F H H 3 C O O HO N S IC50 = 2.5 nM 521.59 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2nccs2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL371069 OBDepict O O H H H 3 C H H H H N F F F Ki = 2.7 nM 455.52 C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 Homo sapiens CHEMBL884751 single protein format
CHEMBL3961310 OBDepict N N H O O O H F F H H 3 C H H CH 3 N N IC50 = 2.7 nM 552.58 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2cccc(C#N)c2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3907652 OBDepict N N H H CH 3 H F F H H 3 C O N H O IC50 = 2.7 nM 477.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCC2CC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3930467 OBDepict OH O O F F H H 3 C H H H 3 C N N IC50 = 2.7 nM 438.47 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(CO)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3980810 OBDepict O O H CH 3 F F H H CH 3 N Cl IC50 = 2.7 nM 417.88 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2C(CC1(F)F)C(=O)O[C@@H]2C Homo sapiens CHEMBL3888452 assay format
CHEMBL3916203 OBDepict N N H H CH 3 H F F H CH 3 O N H O O N S IC50 = 2.8 nM 534.59 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2nccs2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3908486 OBDepict N N H O O O H F F H H 3 C H H CH 3 N N IC50 = 2.9 nM 552.58 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2ccc(C#N)cc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4113629 OBDepict N N H H 3 C F F H H 3 C O O HO N IC50 = 3.0 nM 515.56 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2ccccn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3985965 OBDepict N N H H CH 3 H F F H CH 3 O N H O O F IC50 = 3.0 nM 545.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2cccc(F)c2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3897916 OBDepict N N H H H 3 C H F F H H 3 C O HN O N N H 3 C IC50 = 3.0 nM 517.58 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2nccn2C)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3910807 OBDepict N N H H CH 3 H F F H CH 3 O N H O O N Cl IC50 = 3.0 nM 563.0 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)c2ccc(Cl)nc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3925032 OBDepict HO NH O O O F F H CH 3 H H CH 3 N F Ki = 3.0 nM 488.51 C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)C2[C@@H](C)OC(=O)[C@]2(C(=O)NCCO)CC1(F)F Homo sapiens CHEMBL3888451 assay format
CHEMBL3906979 OBDepict F N H H H 3 C H H 3 C O OH F F O Ki = 3.0 nM 417.43 C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)C2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F Homo sapiens CHEMBL3888451 assay format
CHEMBL3985900 OBDepict O O H H 3 C F F H H H 3 C N F Ki = 3.0 nM 401.43 C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)C2C(CC1(F)F)C(=O)O[C@@H]2C Homo sapiens CHEMBL3888451 assay format
CHEMBL3906932 OBDepict N N H H H 3 C H F F H H 3 C O HN O N IC50 = 3.1 nM 514.58 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2ccccn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4114937 OBDepict N N H H 3 C F F H H 3 C O O HO N O IC50 = 3.1 nM 505.52 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(O)c2ncco2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4114406 OBDepict N N H CH 3 F F H CH 3 O N H O O IC50 = 3.3 nM 505.57 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C(=O)NC2CCC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3971211 OBDepict N H 3 C N H H CH 3 H H 3 C O NH 2 F F O IC50 = 3.3 nM 437.49 Cc1cccc(-c2ccc(/C=C/[C@@H]3C4[C@@H](C)OC(=O)[C@]4(N)CC(F)(F)[C@H]3C)nc2)c1C#N Homo sapiens CHEMBL3888452 assay format
CHEMBL3909563 OBDepict N O O F F H CH 3 H H CH 3 N Cl IC50 = 3.3 nM 456.92 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2[C@@H](C)OC(=O)[C@]2(CC#N)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3980639 OBDepict CH 3 O O O O F F H H 3 C H H H 3 C N F IC50 = 3.4 nM 459.46 COC(=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)C1[C@@H](C)OC2=O Homo sapiens CHEMBL3888452 assay format
CHEMBL3977807 OBDepict N N H H H 3 C H F F H CH 3 O HN O O N O H 3 C IC50 = 3.4 nM 532.55 Cc1cc(C(=O)N[C@@]23CC(F)(F)[C@@H](C)[C@H](/C=C/c4ccc(-c5ccccc5C#N)cn4)[C@@H]2[C@@H](C)OC3=O)no1 Homo sapiens CHEMBL3888452 assay format
CHEMBL3892331 OBDepict N N H H CH 3 H F F H CH 3 O N H O O IC50 = 3.5 nM 491.54 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)C2CC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4107269 OBDepict N N H CH 3 F F H CH 3 O N H O O N N CH 3 IC50 = 3.7 nM 531.56 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@@]2(NC(=O)c2ccn(C)n2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL453277 OBDepict CH 3 O N O H 3 C H H H H H H O O H CH 3 N F F F Ki = 3.7 nM 556.63 CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cn2)C1 Homo sapiens CHEMBL964660 assay format
CHEMBL4115204 OBDepict N N H CH 3 F F H CH 3 O NH O N IC50 = 3.9 nM 514.58 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2ccncc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3971706 OBDepict N N H H CH 3 H CH 3 O N H F F O IC50 = 4.1 nM 477.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NC2CCC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL500551 OBDepict CH 3 O N O H 3 C H H H H H H O O H CH 3 N F Ki = 4.1 nM 506.62 CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)C1 Homo sapiens CHEMBL964660 assay format
CHEMBL3956004 OBDepict OH HN O O F F H H 3 C H H H 3 C N N IC50 = 4.3 nM 439.46 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NO)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3952681 OBDepict Cl OH HN O O H F F H H 3 C H H H 3 C N N IC50 = 4.3 nM 515.99 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCC(O)CCl)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL390630 OBDepict H 3 C O N O H H H H H O O H H 3 C N F Ki = 4.3 nM 478.56 CCOC(=O)N1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)C1 Homo sapiens CHEMBL895431 cell membrane format
CHEMBL3980605 OBDepict N N H H H 3 C H F F H H 3 C O HN O N N IC50 = 4.4 nM 515.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2cnccn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL493633 OBDepict H 3 C NH N H O H H H H H H O O H CH 3 N F Ki = 4.4 nM 477.58 CNC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL3969151 OBDepict O O OH H H 3 C F F H H H 3 C N O F F F IC50 = 4.5 nM 483.43 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3OC(F)(F)F)cn2)C2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL2012509 OBDepict CH 3 H H CH 3 H H OH H H 3 C O O N S IC50 = 4.6 nM 397.54 CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccsc2)cn1 Homo sapiens CHEMBL2015551 single protein format
CHEMBL3965348 OBDepict O O H H 3 C F F H H H 3 C N O F F F IC50 = 4.7 nM 467.43 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3OC(F)(F)F)cn2)C2C(CC1(F)F)C(=O)O[C@@H]2C Homo sapiens CHEMBL3888452 assay format
CHEMBL4108966 OBDepict N N H CH 3 F F H CH 3 O NH O N IC50 = 4.7 nM 514.58 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2cccnc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3960140 OBDepict N N H H H 3 C H H 3 C O Br F F O IC50 = 4.8 nM 487.34 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(Br)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL523854 OBDepict CH 3 NH N H O H H H H H H O O H CH 3 N F Ki = 4.8 nM 491.61 CCNC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL3109581 OBDepict H 3 C O N H O H H H H H H O O H H 3 C N F Ki = 5.0 nM 492.59 COC(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL3111131 assay format
CHEMBL3985900 OBDepict O O H H 3 C F F H H H 3 C N F IC50 = 5.01 nM 401.43 C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)C2C(CC1(F)F)C(=O)O[C@@H]2C Homo sapiens CHEMBL3888452 assay format
CHEMBL3288437 OBDepict N N H H H H H H 3 C O H O HN O O Ki = 5.1 nM 483.57 C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5ccccc5C#N)cn3)[C@H]12)COC(=O)N4 Homo sapiens CHEMBL3292644 cell membrane format
CHEMBL3892564 OBDepict N O O F F H H 3 C H H H 3 C N N IC50 = 5.1 nM 447.49 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(CC#N)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4106780 OBDepict N N H H 3 C F F H H 3 C O N H 3 C CH 3 O IC50 = 5.3 nM 451.52 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(N(C)C)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3969105 OBDepict N N H H H 3 C H F F H H 3 C O HN O N N IC50 = 5.7 nM 515.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NCc2cncnc2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3971586 OBDepict N N H H H 3 C H H 3 C NH OH F F O IC50 = 5.8 nM 423.46 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)NC(=O)[C@]2(O)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL446344 OBDepict H 3 C O N H O H H H H H H O O H H 3 C N O CH 3 Ki = 5.9 nM 504.63 CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(OC)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL458264 OBDepict H 3 C O N H O H H H H H H O O H H 3 C N F F Ki = 5.9 nM 510.58 CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cc(F)cc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL3091975 OBDepict F N H O H S H O O CH 3 IC50 = 6.0 nM 415.53 CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL3095279 assay format
CHEMBL493983 OBDepict H 3 C O N H O H H H H H H O O H CH 3 N F Ki = 6.1 nM 478.56 COC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL3971708 OBDepict N N H H H 3 C H F F H H 3 C O N H O O CH 3 CH 3 CH 3 IC50 = 6.1 nM 521.61 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(NC(=O)CC(C)(C)C)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL493632 OBDepict H 3 C NH O H H H H H H O O H H 3 C N F Ki = 6.2 nM 462.57 CC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL4114149 OBDepict N N H CH 3 F F H CH 3 O HN O HN S IC50 = 6.3 nM 522.62 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@@]2(NC(=S)NC2CC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL381265 OBDepict HO N H H H H H H 3 C O H O IC50 = 6.3 nM 377.48 C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(O)ccc4n3)[C@H]12 Homo sapiens CHEMBL863749 cell membrane format
CHEMBL493792 OBDepict H 3 C N H O H H H H H H O O H CH 3 N F Ki = 6.4 nM 476.59 CCC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL2012500 OBDepict CH 3 H H CH 3 H H OH H H 3 C O O N IC50 = 6.4 nM 391.51 CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2)cn1 Homo sapiens CHEMBL2015551 single protein format
CHEMBL3945945 OBDepict N N H H H 3 C H H 3 C O N F F O N N N IC50 = 6.4 nM 476.49 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(n2cnnn2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL4109515 OBDepict N N H H 3 C F F H H 3 C O N O N N CH 3 N IC50 = 6.4 nM 490.51 Cc1nnnn1[C@@]12CC(F)(F)C(C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)C1[C@@H](C)OC2=O Homo sapiens CHEMBL3888452 assay format
CHEMBL494618 OBDepict F N H H H H H CH 3 O H O H HN O Ki = 6.5 nM 488.6 C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NC(=O)C4CC4)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 Homo sapiens CHEMBL964660 assay format
CHEMBL4109166 OBDepict N N H CH 3 F F H CH 3 O NH O N O IC50 = 6.5 nM 504.54 CC1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NCc2ncco2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3901289 OBDepict N N H H CH 3 H CH 3 O N H F F S O O O CH 3 IC50 = 7.0 nM 501.56 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NS(C)(=O)=O)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL391098 OBDepict F N H H O H F O F IC50 = 7.0 nM 421.42 O=C1OC[C@H]2[C@@H]1Cc1c(ccc(F)c1F)[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL896330 single protein format
CHEMBL3658413 OBDepict N N N O N H O O F F F IC50 = 7.05 nM 500.52 N#CC1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(OC(F)(F)F)cc3)C2)CC1 Homo sapiens CHEMBL3705753 assay format
CHEMBL3940503 OBDepict N N H H H 3 C H CH 3 O HN F F O N H O IC50 = 7.1 nM 520.58 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(NC(=O)NC2CCC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3898141 OBDepict N N H H H 3 C H H 3 C O NH 2 F F O IC50 = 7.2 nM 423.46 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(N)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL3964337 OBDepict H N N N N O O F F H H 3 C H H CH 3 N Cl IC50 = 7.5 nM 499.95 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3Cl)cn2)C2[C@@H](C)OC(=O)[C@]2(Cc2nn[nH]n2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL234397 OBDepict F N H H O H O IC50 = 7.5 nM 385.44 O=C1OC[C@H]2[C@@H]1Cc1ccccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL896330 single protein format
CHEMBL232955 OBDepict F H H H O O N F IC50 = 7.6 nM 403.43 O=C1OC[C@H]2[C@@H]1Cc1cc(F)ccc1[C@@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL896330 single protein format
CHEMBL3109579 OBDepict HO H H H H H H O O H CH 3 N F Ki = 8.0 nM 435.54 C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CO)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 Homo sapiens CHEMBL3111131 assay format
CHEMBL3946656 OBDepict N N H H CH 3 H CH 3 O F F O OH O IC50 = 8.0 nM 480.51 C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@@H](C)OC(=O)[C@]2(C2(O)COC2)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL244105 OBDepict H 3 C O N O H H H H H O O H H 3 C N F IC50 = 8.0 nM 478.56 CCOC(=O)N1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3ccccc3F)cn2)C1 Homo sapiens CHEMBL895431 cell membrane format
CHEMBL244299 OBDepict O N H H H H H O O H H 3 C N F IC50 = 8.0 nM 474.58 C[C@H]1OC(=O)[C@@H]2C[C@@H]3CN(C(=O)C4CC4)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12 Homo sapiens CHEMBL895431 cell membrane format
CHEMBL493982 OBDepict CH 3 O N H O H H H H H H O O H CH 3 N F Ki = 8.1 nM 492.59 CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1 Homo sapiens CHEMBL964660 assay format
CHEMBL3906979 OBDepict F N H H H 3 C H H 3 C O OH F F O IC50 = 8.1 nM 417.43 C[C@H]1[C@H](/C=C/c2ccc(-c3cccc(F)c3)cn2)C2[C@@H](C)OC(=O)[C@]2(O)CC1(F)F Homo sapiens CHEMBL3888452 assay format
CHEMBL2012505 OBDepict CH 3 O N H H H H 3 C H CH 3 H H 3 C O OH O IC50 = 8.1 nM 421.54 CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2OC)cn1 Homo sapiens CHEMBL2015551 single protein format
CHEMBL2012510 OBDepict CH 3 H H CH 3 H H OH H H 3 C O O N O IC50 = 8.6 nM 381.47 CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccoc2)cn1 Homo sapiens CHEMBL2015551 single protein format
CHEMBL2012489 OBDepict CH 3 H H CH 3 H H H H H 3 C O O N IC50 = 8.8 nM 375.51 CC[C@@H]1[C@@H](C)C[C@H]2C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccccc2)cn1 Homo sapiens CHEMBL2015551 single protein format
CHEMBL3288441 OBDepict N N H H H H H H 3 C O H O HN O O Ki = 8.9 nM 483.57 C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5ccccc5C#N)cn3)[C@H]12)COC(=O)N4 Homo sapiens CHEMBL3292644 cell membrane format
CHEMBL4115431 OBDepict CH 3 N H N N N O O F F H H 3 C H H 3 C N N IC50 = 9.7 nM 580.64 CNc1ccc(-c2cn([C@@]34CC(F)(F)C(C)[C@H](/C=C/c5ccc(-c6ccccc6C#N)cn5)C3[C@@H](C)OC4=O)nn2)cc1 Homo sapiens CHEMBL3888452 assay format
CHEMBL447996 OBDepict O O H H H 3 C H H H H H NH S N O O H 3 C F F F Ki = 10.0 nM 548.63 C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NS(C)(=O)=O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 Homo sapiens CHEMBL964660 assay format