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P49682 | CXCR3_HUMAN | C-X-C chemokine receptor type 3 (CXCR3)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3924716 OBDepict Cl N N N O H CH 3 N S N N N F F F H IC50 = 0.1 nM 509.95 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc(Cl)cn1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3944008 OBDepict H N N N S N F F F N H CH 3 O N N CH 3 IC50 = 0.1 nM 489.53 Cc1ccnn1CC(=O)N1CCN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)C[C@H]1C Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3905581 OBDepict NH 2 N N H N S N F F F N H CH 3 O N N CH 3 N H 3 C IC50 = 0.1 nM 547.61 Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4cc(CCN)ccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3912920 OBDepict H 3 C N N N O H CH 3 N S N N N F F F H IC50 = 0.2 nM 489.53 Cc1ccn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3898933 OBDepict Cl N N H N S N N H H 3 C O N N IC50 = 0.2 nM 492.01 C[C@@H]1CN(c2scnc2-c2nc3ccc(Cl)cc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3949279 OBDepict H N N N S N N H H 3 C O N N IC50 = 0.2 nM 457.56 C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc2ccncc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL1681882 OBDepict H 3 C NH O N Cl N N H H 3 C N F Cl IC50 = 0.2 nM 522.5 CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4F)CC3)[C@@H](CC)C2)c(Cl)c1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL1921863 OBDepict H 3 C H N N N Cl N N H 2 N NH O H 3 C Cl IC50 = 0.3 nM 506.48 CC[C@H]1CN(c2nc(N)c(C(=O)NC)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL472288 OBDepict H 3 C NH O N Cl N N H H 3 C N Cl IC50 = 0.3 nM 504.51 CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](CC)C2)c(Cl)c1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3116468 OBDepict H 3 C H N N N Cl N N N H F Cl IC50 = 0.3 nM 517.48 CC[C@H]1CN(c2ncc(-c3ncc[nH]3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3909429 OBDepict H N N N S N N H H 3 C O N O F F IC50 = 0.3 nM 508.55 C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)CN1C(=O)C(F)(F)c2ccccc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL1921866 OBDepict H 3 C H N N N Cl N N H 2 N NH O HO CH 3 Cl IC50 = 0.3 nM 550.54 CC[C@H]1CN(c2nc(N)c(C(=O)NCC(C)O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3899279 OBDepict O N N H CH 3 N N N S N N N F F F H N IC50 = 0.3 nM 527.54 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cccnc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL1921858 OBDepict H 3 C H N N N Cl N N H 2 N O H 2 N Cl Ki = 0.4 nM 492.46 CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL2184848 single protein format
CHEMBL3116476 OBDepict H 3 C H N N N Cl N N H 2 N N O N H 3 C Cl IC50 = 0.4 nM 531.49 CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3894522 OBDepict F F N N H N S N N H CH 3 O N N N IC50 = 0.4 nM 494.53 C[C@@H]1CN(c2scnc2-c2nc3cc(F)c(F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3970456 OBDepict CH 3 N N O H H 3 C N S N N N F F F H IC50 = 0.4 nM 500.55 Cc1ccc(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)cn1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL1921865 OBDepict OH NH O N NH 2 N Cl N N H CH 3 N Cl IC50 = 0.4 nM 536.51 CC[C@H]1CN(c2nc(N)c(C(=O)NCCO)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3986477 OBDepict F N N H N S N N H CH 3 O N N N IC50 = 0.5 nM 476.54 C[C@@H]1CN(c2scnc2-c2nc3cc(F)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3971111 OBDepict O N N H H 3 C N N N S N N N H CH 3 Cl IC50 = 0.5 nM 507.02 Cc1c(Cl)ccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc12 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3982804 OBDepict H N N N S N F F F N H CH 3 O N N IC50 = 0.5 nM 475.5 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cccn1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3116487 OBDepict H 3 C NH N O N N N Cl N N H H 3 C N O NH 2 N Cl IC50 = 0.8 nM 575.5 CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL1921858 OBDepict H 3 C H N N N Cl N N H 2 N O H 2 N Cl IC50 = 0.8 nM 492.46 CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL254083 OBDepict N N N CH 3 H O S O O H 3 C F F F F IC50 = 0.8 nM 597.63 CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccc2cc1-c1ccc(C#N)cc1 Homo sapiens CHEMBL928937 assay format
CHEMBL1921864 OBDepict H 3 C H N N N Cl N N H 2 N NH O F F F Cl IC50 = 0.8 nM 574.48 CC[C@H]1CN(c2nc(N)c(C(=O)NCC(F)(F)F)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921879 OBDepict H 3 C H N N N Cl N N O N H O NH 2 N CH 3 CH 3 Cl IC50 = 0.9 nM 549.51 CC[C@H]1CN(c2ncc(C(=O)NC(C)C)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3951530 OBDepict H 3 C N N CH 3 N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 503.55 Cc1cc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3936265 OBDepict H N N N S N F F F N H CH 3 O N N F F F IC50 = 1.0 nM 543.5 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc(C(F)(F)F)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3974833 OBDepict CH 3 N N H N S N N H CH 3 O N N N IC50 = 1.0 nM 472.58 Cc1ccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3938074 OBDepict H N N N S N F F F N H CH 3 O N IC50 = 1.0 nM 536.58 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cc1cccc2cccnc12 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3903948 OBDepict O N N H H 3 C N N N S N N N H CH 3 CH 3 H 3 C IC50 = 1.0 nM 514.66 C[C@@H]1CN(c2scnc2-c2nc3cc(C(C)(C)C)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3908992 OBDepict O N N H H 3 C N N N S N N N H Cl CH 3 IC50 = 1.0 nM 507.02 Cc1cc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2cc1Cl Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3935793 OBDepict O N N H CH 3 N N N S N N N H H 3 C CH 3 IC50 = 1.0 nM 500.63 CC(C)c1ccc2nc(-c3ncsc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)[nH]c2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3940474 OBDepict Cl N N H N S N N H CH 3 O N O O IC50 = 1.0 nM 508.99 C[C@@H]1CN(c2scnc2-c2nc3cc(Cl)ccc3[nH]2)CCN1C(=O)Cn1c(=O)oc2ccccc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3889786 OBDepict O N N H CH 3 N N N S N N N H Cl F IC50 = 1.0 nM 510.99 C[C@@H]1CN(c2scnc2-c2nc3cc(Cl)c(F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3910696 OBDepict Cl N N H N S N N H H 3 C O N N N IC50 = 1.0 nM 493.0 C[C@@H]1CN(c2scnc2-c2nc3ccc(Cl)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3971056 OBDepict Br S N N N N H N H CH 3 O N N N IC50 = 1.0 nM 537.45 C[C@@H]1CN(c2sc(Br)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3981151 OBDepict O N N H H 3 C N N CH 3 N H 3 C S N N N F F F H O IC50 = 1.0 nM 588.66 Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(C5CCOCC5)cc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3923811 OBDepict H 3 C N N N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 489.53 Cc1cnn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3956337 OBDepict O N N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 540.57 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)CN1C(=O)Cc2ccccc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3929525 OBDepict H N N N S N N H H 3 C O N N N IC50 = 1.0 nM 458.55 C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ncc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3903462 OBDepict O N N H CH 3 N N N S N N N H Cl F F F IC50 = 1.0 nM 560.99 C[C@@H]1CN(c2scnc2-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3964312 OBDepict H 3 C O O N N H N S N F F F N H CH 3 O N N N IC50 = 1.0 nM 584.58 COC(=O)c1ccc2[nH]c(-c3nc(C(F)(F)F)sc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3977943 OBDepict O N N H H 3 C N N N S N N N F F F H OH CH 3 IC50 = 1.0 nM 570.6 CC(O)c1ccc2[nH]c(-c3nc(C(F)(F)F)sc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3948779 OBDepict O N N H H 3 C N N N S N N N F F F H O CH 3 IC50 = 1.0 nM 568.59 CC(=O)c1ccc2[nH]c(-c3nc(C(F)(F)F)sc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3966250 OBDepict HO O N N H N S N F F F N H CH 3 O N N N IC50 = 1.0 nM 586.6 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cc(OCCO)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3895316 OBDepict O N N H CH 3 N N N S N N N H IC50 = 1.0 nM 498.62 C[C@@H]1CN(c2scnc2-c2nc3ccc(C4CC4)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3918533 OBDepict OH N N H N S N N H H 3 C O N N N IC50 = 1.0 nM 488.58 C[C@@H]1CN(c2scnc2-c2nc3ccc(CO)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3116486 OBDepict H 3 C NH N O N N NH 2 N Cl N N H H 3 C N O NH 2 N Cl IC50 = 1.0 nM 590.52 CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3973196 OBDepict Cl N N H N S N F F F N H H 3 C O N N N IC50 = 1.0 nM 560.99 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cc(Cl)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3895485 OBDepict H 3 C S N N N N H N H CH 3 O N N N IC50 = 1.0 nM 486.61 CCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)s1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3936959 OBDepict H N N N S N N H CH 3 O N N Cl IC50 = 1.0 nM 492.01 C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc(Cl)c2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3917131 OBDepict H N N N S N F F F N H CH 3 O N N N IC50 = 1.0 nM 526.55 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc2cccnc2n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3985006 OBDepict H N N N S N F F F N H H 3 C O N N O N H IC50 = 1.0 nM 542.55 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1c(=O)[nH]c2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3921901 OBDepict H N N N S N F F F N H H 3 C O N N IC50 = 1.0 nM 525.56 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2ccccc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3901665 OBDepict O N N H CH 3 N N N S N N N H IC50 = 1.0 nM 534.65 C[C@@H]1CN(c2scnc2-c2nc3ccc(-c4ccccc4)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3972743 OBDepict CH 3 N N H N S N N H H 3 C O N N N IC50 = 1.0 nM 486.61 CCc1ccc2nc(-c3ncsc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)[nH]c2c1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3946677 OBDepict O N N H H 3 C N N N S N N N H F F F IC50 = 1.0 nM 526.55 C[C@@H]1CN(c2scnc2-c2nc3cc(C(F)(F)F)ccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3896434 OBDepict Cl N N H N S N H CH 3 N H H 3 C O N N N IC50 = 1.0 nM 507.02 C[C@H]1CN(c2scnc2-c2nc3cc(Cl)ccc3[nH]2)C[C@@H](C)N1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3890323 OBDepict O N N H CH 3 N N N S N N N F F F H N N IC50 = 1.0 nM 528.52 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3cncnc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3905608 OBDepict O N N H CH 3 N N S N N N H Cl F IC50 = 1.0 nM 510.0 C[C@@H]1CN(c2scnc2-c2nc3cc(Cl)c(F)cc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3974351 OBDepict O N N H H 3 C N N CH 3 N CH 3 S N N N F F F H F F IC50 = 1.0 nM 540.52 Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4c(F)c(F)ccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3961149 OBDepict Br N N N N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 555.38 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc(Br)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3929775 OBDepict O N N N N N S N N N F F F H IC50 = 1.0 nM 512.52 O=C(Cn1cnc2cccnc21)N1CCN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CC1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3923803 OBDepict CH 3 N N N O H H 3 C N S N N N F F F H IC50 = 1.0 nM 583.68 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cc1ccccc1N1CCN(C)CC1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3914293 OBDepict O N N H CH 3 N N S N N N H F F IC50 = 1.0 nM 493.54 C[C@@H]1CN(c2scnc2-c2nc3c(F)c(F)ccc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3930468 OBDepict H 3 C N CH 3 H N N O S N N N N N N H IC50 = 1.0 nM 501.62 CN(C)C[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3984468 OBDepict H 3 C N N N N O H H 3 C N S N N N F F F H IC50 = 1.0 nM 544.61 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2c1CN(C)CC2 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3901259 OBDepict H 3 C N N N N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 490.52 Cc1ncn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3913741 OBDepict CH 3 N H 3 C N H 3 C N N O H CH 3 N S N N N F F F H IC50 = 1.0 nM 546.62 Cc1nn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)cc1CN(C)C Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3892103 OBDepict O N N H H 3 C N N CH 3 N CH 3 S N N N F F F H F IC50 = 1.0 nM 522.53 Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4c(F)cccc4[nH]3)C[C@H]2C)n1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3974991 OBDepict O N N H CH 3 N N S N N N H CH 3 H 3 C CH 3 IC50 = 1.0 nM 513.67 C[C@@H]1CN(c2scnc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3975264 OBDepict O N N H H 3 C N N S N N N H CH 3 IC50 = 1.0 nM 471.59 Cc1cccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4ccc5cccnc54)[C@H](C)C3)nc12 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3978935 OBDepict H N N N S N F F F N H H 3 C O N N N IC50 = 1.0 nM 526.55 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3967981 OBDepict H 3 C H N N O S N N N N N H IC50 = 1.0 nM 471.59 CC[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL1921891 OBDepict H 3 C H N N N CH 3 N N O HN O Cl IC50 = 1.1 nM 511.07 CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3116488 OBDepict H 3 C NH N O N N N H 3 C N N H H 3 C N O NH 2 N Cl IC50 = 1.2 nM 555.09 CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3116496 OBDepict H 3 C NH N O N N N H 3 C N N H H 3 C N O Cl IC50 = 1.2 nM 539.08 CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL1921878 OBDepict H 3 C H N N N Cl N N O HN O H 2 N N Cl IC50 = 1.2 nM 547.49 CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3116469 OBDepict CH 3 H N N N Cl N HN N F Cl IC50 = 1.3 nM 519.5 CC[C@H]1CN(c2ncc(C3=NCCN3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL1921896 OBDepict H 3 C H N N N H H 3 C CH 3 N N O HN O Cl IC50 = 1.3 nM 525.1 CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3116481 OBDepict H 3 C H N N N Cl N N NH 2 O N O N H 2 N N H 2 N Cl IC50 = 1.3 nM 562.47 CC[C@H]1CN(c2nc(N)c(-c3nnc(N)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3116474 OBDepict CH 3 H N N N Cl N N O N F Cl IC50 = 1.4 nM 519.45 CC[C@H]1CN(c2ncc(-c3nnco3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL1921883 OBDepict CH 3 H N N N N N F F F O N H O H 3 C H 2 N N Cl IC50 = 1.5 nM 555.01 CC[C@H]1CN(c2ncc(C(=O)NC)nc2C(F)(F)F)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921871 OBDepict CH 3 H N N N Cl N N NH 2 HN O H O O Cl IC50 = 1.5 nM 576.53 CC[C@H]1CN(c2nc(N)c(C(=O)N[C@@H]3CCOC3=O)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921877 OBDepict H 3 C H N N N Cl N N O N H O NH 2 N CH 3 H 3 C CH 3 Cl IC50 = 1.5 nM 563.53 CC[C@H]1CN(c2ncc(C(=O)NC(C)(C)C)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3116485 OBDepict CH 3 H N N N Cl N N NH 2 O N O N NH 2 N N H CH 3 Cl IC50 = 1.6 nM 576.49 CC[C@H]1CN(c2nc(N)c(-c3nnc(NC)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3116501 OBDepict H 3 C H N N N H H 3 C CH 3 N N O N N H Cl IC50 = 1.6 nM 508.07 CC[C@H]1CN(c2ncc(-c3ncc[nH]3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3116495 OBDepict H 3 C H N N N H H 3 C CH 3 N N O N N H H 2 N N Cl IC50 = 1.8 nM 524.07 CC[C@H]1CN(c2ncc(-c3ncc[nH]3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL269932 OBDepict CH 3 O N N N CH 3 H O N F F F F IC50 = 1.8 nM 526.53 CCOc1ccc(-n2ccnc2[C@@H](C)N(Cc2cccnc2)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL932090 assay format
CHEMBL1921884 OBDepict H 3 C H N N N N N F F F O HN O H 2 N N Cl IC50 = 1.8 nM 581.04 CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C(F)(F)F)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921861 OBDepict OH N Cl N H N CH 3 N Cl N NH 2 O NH 2 IC50 = 1.9 nM 522.48 CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CCN(C(CO)c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921887 OBDepict H 3 C H N N N CH 3 N N O HN O H 2 N N Cl IC50 = 1.9 nM 527.07 CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL1921882 OBDepict CH 3 H N N N N N F F F O O NH 2 H 2 N N Cl IC50 = 1.9 nM 540.98 CC[C@H]1CN(c2ncc(C(N)=O)nc2C(F)(F)F)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL1924404 cell-based format
CHEMBL3966706 OBDepict H 3 C S N N N N H N H H 3 C O N N N IC50 = 2.0 nM 472.58 Cc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3cnc4cccnc43)[C@H](C)C2)s1 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3933035 OBDepict H 3 C N CH 3 CH 3 N H 3 C N N O H CH 3 N S N N N F F F H IC50 = 2.0 nM 560.65 Cc1nn(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccccc4[nH]3)C[C@H]2C)c(C)c1CN(C)C Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3925874 OBDepict CH 3 N N N N O H CH 3 N S N N N F F F H IC50 = 2.0 nM 544.61 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cc2c(n1)CCN(C)C2 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3116478 OBDepict H 3 C H N N N Cl N N NH 2 O N O N H 2 N N H 3 C Cl IC50 = 2.0 nM 561.48 CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 Homo sapiens CHEMBL3119548 single protein format
CHEMBL3956850 OBDepict H 3 C N N N N O H H 3 C N S N N N F F F H IC50 = 2.0 nM 544.61 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ncc2c1CCN(C)C2 Homo sapiens CHEMBL3888033 cell-based format
CHEMBL3949824 OBDepict HO N N H N S N F F F N H H 3 C O N N N IC50 = 2.0 nM 556.57 C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccc(CO)cc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21 Homo sapiens CHEMBL3888033 cell-based format