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Q15661 | TRYB1_HUMAN | Tryptase alpha/beta-1 (TPSAB1)

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
CHEMBL310290 OBDepict NH 2 N H O N H O O O NH O N H O H 2 N Ki = 0.6 nM 576.65 NCc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Homo sapiens CHEMBL811858 single protein format
CHEMBL365062 OBDepict NH 2 F N O O NH 2 O N N S Ki = 1.3 nM 505.58 NCc1ccc(F)c(C2CCN(C(=O)c3cc(C(N)=O)cc(-c4nc(-c5cccs5)no4)c3)CC2)c1 Homo sapiens CHEMBL839534 single protein format
CHEMBL362874 OBDepict NH 2 N O O NH 2 O N N S Ki = 1.5 nM 487.59 NCc1cccc(C2CCN(C(=O)c3cc(C(N)=O)cc(-c4nc(-c5cccs5)no4)c3)CC2)c1 Homo sapiens CHEMBL839534 single protein format
CHEMBL212774 OBDepict H 2 N N H H O N N O O F N H O Cl Ki = 1.7 nM 592.07 NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL213928 OBDepict H 2 N N H H O N N O O F N H O Cl Ki = 1.8 nM 592.07 NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL209395 OBDepict H 2 N N H H O N N O O O H 3 C NH O Cl Ki = 1.9 nM 542.04 CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL127185 OBDepict OH O F F F H 2 N N NH 2 NH H O N S O H N O H 3 C IC50 = 2.0 nM 544.56 CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811863 single protein format
CHEMBL214136 OBDepict H 2 N N H H O N N O O H 3 C H 3 C CH 3 NH O Cl Ki = 2.0 nM 554.09 CC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL213951 OBDepict H 2 N N H H O N N O O O N H O S Ki = 2.4 nM 575.69 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccs3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL214368 OBDepict NH 2 N H H O N N O O O CH 3 N H O Ki = 2.8 nM 519.6 CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL379561 OBDepict H 2 N N H H O N N O O O N H O Ki = 3.0 nM 583.69 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL76733 OBDepict NH 2 N H O N H O N H O N H O H 2 N Ki = 3.0 nM 572.71 NCc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(CN)cc3)cc2)cc1 Homo sapiens CHEMBL811858 single protein format
CHEMBL213780 OBDepict H 2 N N H H O N N O O O N H O Ki = 3.2 nM 569.66 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL276908 OBDepict H 2 N N H H O N N O O O N H O Ki = 3.6 nM 581.67 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC/C=C/c3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL213927 OBDepict H 2 N N H H O N N O O O N H O Ki = 3.7 nM 581.67 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL186730 OBDepict NH 2 F N O O N N S Ki = 4.3 nM 462.55 NCc1ccc(F)c(C2CCN(C(=O)c3cccc(-c4nc(-c5cccs5)no4)c3)CC2)c1 Homo sapiens CHEMBL839534 single protein format
CHEMBL208638 OBDepict NH 2 NH HN S O O Cl IC50 = 5.0 nM 431.99 NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL378244 OBDepict H 2 N N H H O N N O O O N N Ki = 5.8 nM 562.72 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCCc3ccccc3)CC2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL210129 OBDepict NH 2 N H H O N N O O O N H O CH 3 CH 3 Ki = 9.9 nM 535.65 CC(C)CCNC(=O)c1ccc(Cc2nc(C(=O)[C@H](CCCCN)NC(=O)OCc3ccccc3)no2)cc1 Homo sapiens CHEMBL864198 single protein format
CHEMBL209604 OBDepict NH 2 N H H O N N O O O N N Ki = 11.0 nM 548.69 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCc3ccccc3)CC2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL426330 OBDepict NH 2 N H H O N N O O O O Ki = 12.0 nM 542.64 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL340183 OBDepict OH O F F F H 2 N N NH 2 NH H O N S O H N O H 3 C Ki = 19.0 nM 544.56 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL339703 OBDepict OH O F F F NH 2 N H 2 N N H H O N S O H N O CH 3 Ki = 20.0 nM 530.53 CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL556199 OBDepict H 2 N N NH 2 NH H O N S O H N H OH O H 3 C ClH Ki = 22.0 nM 482.99 CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.Cl Homo sapiens CHEMBL811864 single protein format
CHEMBL191546 OBDepict OH O F F F CH 3 O N CH 3 N O H 2 N Ki = 32.0 nM 519.56 COCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL124809 OBDepict OH O F F F CH 3 O S N O O H N H O H O N S N H 2 N H 2 N Ki = 33.0 nM 596.61 COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL213778 OBDepict H 2 N N H H O N N O O O N N O Ki = 34.0 nM 576.7 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCCc3ccccc3)CC2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL386704 OBDepict NH 2 N H H O N N O O O N H O Ki = 37.0 nM 555.64 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCc3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL421466 OBDepict OH O F F F H 2 N N NH 2 NH H O N S O H N O H 3 C Ki = 38.0 nM 542.54 CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL211585 OBDepict NH 2 N H H O N N O O O N H O H 3 C H 3 C Ki = 39.0 nM 583.69 Cc1ccc(CNC(=O)c2ccc(Cc3nc(C(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4)no3)cc2)cc1C Homo sapiens CHEMBL864198 single protein format
CHEMBL421643 OBDepict OH O F F F NH 2 N NH 2 N H H O N S O N H H O CH 3 H 3 C CH 3 Ki = 41.0 nM 560.6 CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL370284 OBDepict OH O F F F NH 2 N O N CH 3 CH 3 Ki = 41.0 nM 489.54 CCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL365527 OBDepict OH O F F F H 3 C N CH 3 N O H 2 N Ki = 41.0 nM 503.57 CCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL211561 OBDepict NH 2 N H H O N N O O O CH 3 O Ki = 46.5 nM 480.57 CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1 Homo sapiens CHEMBL869806 single protein format
CHEMBL192963 OBDepict OH O F F F CH 3 N N O H 2 N Ki = 49.0 nM 503.57 CCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL99951 OBDepict NH 2 NH N N H N N H NH H 2 N IC50 = 51.0 nM 332.37 N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1 Homo sapiens CHEMBL867493 single protein format
CHEMBL193514 OBDepict OH O F F F CH 3 O N N O H 2 N Ki = 57.0 nM 505.54 COCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL185752 OBDepict CH 3 O O N O O N N S F H 2 N Ki = 59.0 nM 534.61 CCOC(=O)c1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)cc(-c2nc(-c3cccs3)no2)c1 Homo sapiens CHEMBL839534 single protein format
CHEMBL214148 OBDepict NH 2 N H H O N N O O O N H O Ki = 60.0 nM 597.72 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCCc3ccccc3)cc2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL189101 OBDepict OH O F F F NH 2 N O N H H 3 C Ki = 61.0 nM 461.48 Cc1cccc2c(C(=O)N3CCC(c4cccc(CN)c4)CC3)c[nH]c12.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL370463 OBDepict OH O F F F CH 3 N CH 3 N O H 2 N Ki = 68.0 nM 517.59 CCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL370463 OBDepict OH O F F F CH 3 N CH 3 N O H 2 N IC50 = 68.0 nM 517.59 CCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21.O=C(O)C(F)(F)F Homo sapiens CHEMBL832436 single protein format
CHEMBL127773 OBDepict OH O F F F NH 2 N H 2 N N H H O N S O H N O O CH 3 Ki = 73.0 nM 558.54 CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL380668 OBDepict NH 2 NH HN S O O IC50 = 73.0 nM 397.54 NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL75205 OBDepict O N N H HN O NH NH 2 Ki = 84.0 nM 497.64 N=C(N)c1ccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL188068 OBDepict NH 2 F N O O OH O N N S Ki = 88.0 nM 506.56 NCc1ccc(F)c(C2CCN(C(=O)c3cc(C(=O)O)cc(-c4nc(-c5cccs5)no4)c3)CC2)c1 Homo sapiens CHEMBL839534 single protein format
CHEMBL340547 OBDepict OH O F F F NH 2 N H NH N H O N S O Ki = 88.0 nM 501.53 N=C(N)NCCCC(NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL339764 OBDepict OH O F F F NH 2 N H O N S O H N H OH O CH 3 Ki = 90.0 nM 518.51 CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCN)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL360174 OBDepict OH O F F F NH 2 N H O N H 3 C O Cl N N H H 3 C NH 2 CH 3 Ki = 93.0 nM 583.01 Cc1cc(C)c(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1CN.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL365148 OBDepict OH O F F F H 2 N N O N H CH 3 Ki = 101.0 nM 461.48 Cc1ccc2[nH]cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c2c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL365189 OBDepict OH O F F F NH 2 N O N H 3 C CH 3 Ki = 116.0 nM 503.57 CC(C)Cn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL415045 OBDepict NH 2 N CH 3 HN S O O IC50 = 120.0 nM 411.57 CN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL867493 single protein format
CHEMBL372028 OBDepict OH O F F F NH 2 N O N CH 3 Ki = 124.0 nM 475.51 CCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL364661 OBDepict OH O F F F H 3 C N N O NH 2 Ki = 125.0 nM 531.62 CCCCCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL189531 OBDepict OH O F F F NH 2 N O N S O O Ki = 128.0 nM 587.62 NCc1cccc(C2CCN(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL207193 OBDepict NH 2 N H HN S O O S IC50 = 130.0 nM 403.57 NCc1ccc(CCCNCCNS(=O)(=O)c2cc3ccccc3s2)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL3085009 OBDepict OH O F F F NH 2 NH O N CH 3 O Cl N N H H H H 2 N Ki = 138.0 nM 532.95 Cc1c(Cl)nc(N[C@H]2CC[C@H](N)CC2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL542712 OBDepict NH 2 NH N N H N N H HN NH 2 ClH Ki = 140.0 nM 368.83 Cl.N=C(N)c1ccc2[nH]c(Cc3nc4cc(C(=N)N)ccc4[nH]3)nc2c1 Homo sapiens CHEMBL811864 single protein format
CHEMBL99951 OBDepict NH 2 NH N N H N N H NH H 2 N Ki = 140.0 nM 332.37 N=C(N)c1ccc2nc(Cc3nc4ccc(C(=N)N)cc4[nH]3)[nH]c2c1 Homo sapiens CHEMBL829613 cell-based format
CHEMBL190103 OBDepict OH O F F F NH 2 N O N Ki = 141.0 nM 501.55 NCc1cccc(C2CCN(C(=O)c3cn(CC4CC4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL77521 OBDepict NH 2 N H O HN O N H O N H O NH 2 Ki = 150.0 nM 544.66 NCc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(CN)cc3)cc2)cc1 Homo sapiens CHEMBL811858 single protein format
CHEMBL191007 OBDepict OH O F F F NH 2 N O N CH 3 Ki = 155.0 nM 461.48 Cn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL306372 OBDepict H 3 C O O N O N N H N H O NH NH 2 Ki = 160.0 nM 556.67 COC(=O)C(C(=O)N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(NC(=N)N)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL435694 OBDepict OH O F F F NH 2 N O N S O O CH 3 Ki = 162.0 nM 525.55 CS(=O)(=O)n1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL341083 OBDepict O N H H N H HO O CH 3 O N S N NH 2 NH 2 OH O F F F Ki = 180.0 nM 510.5 CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nccs1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL361040 OBDepict OH O F F F H 3 C N N O H 2 N Ki = 185.0 nM 489.54 CCCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL438621 OBDepict NH 2 NH HN S O O N H IC50 = 190.0 nM 402.56 NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CNCC3)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL372912 OBDepict OH O F F F H 2 N N O N N Ki = 197.0 nM 524.54 NCc1cccc(C2CCN(C(=O)c3cn(-c4cccnc4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL208526 OBDepict H 2 N N H N H S O O IC50 = 200.0 nM 387.55 NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL379328 OBDepict H 2 N N H NH S O O S IC50 = 210.0 nM 403.57 NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3sccc3c2)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL213554 OBDepict NH 2 N H H O N N O O O N N O Ki = 230.0 nM 562.67 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL190000 OBDepict OH O F F F NH 2 N O N O CH 3 Ki = 240.0 nM 489.49 CC(=O)n1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL182607 OBDepict OH O F F F NH 2 N H O N CH 3 O Cl N NH H 2 N Ki = 245.0 nM 540.93 Cc1c(Cl)nc(NCc2ccc(N)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL192214 OBDepict OH O F F F NH 2 N O N O S Ki = 246.0 nM 557.59 NCc1cccc(C2CCN(C(=O)c3cn(C(=O)c4cccs4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL341148 OBDepict OH O F F F NH 2 N H NH HN H O N S O H N Ki = 250.0 nM 592.64 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL377266 OBDepict NH 2 NH HN S O O S N H 3 C IC50 = 270.0 nM 418.59 Cc1nc2ccc(S(=O)(=O)NCCNCCCc3ccc(CN)cc3)cc2s1 Homo sapiens CHEMBL867493 single protein format
CHEMBL183528 OBDepict OH O F F F NH 2 N H O N CH 3 O Cl N NH HN Ki = 290.0 nM 532.95 Cc1c(Cl)nc(NCC2CCNCC2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL436537 OBDepict OH O F F F NH 2 N O N H Ki = 290.0 nM 447.46 NCc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL72985 OBDepict O HN N HN NH 2 N H O Ki = 300.0 nM 497.64 N=C(N)c1ccc(NC(=O)CC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL190135 OBDepict OH O F F F NH 2 N O N CH 3 CH 3 Ki = 310.0 nM 489.54 CC(C)n1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL127894 OBDepict NH 2 HN HN N H H N O O O NH 2 OH Ki = 330.0 nM 440.5 N=C(N)NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCCC1C(N)=O Homo sapiens CHEMBL811864 single protein format
CHEMBL309262 OBDepict O N H HN O NH NH 2 Ki = 340.0 nM 490.61 N=C(N)c1ccc(C(=O)NCc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL189983 OBDepict OH O F F F NH 2 N O N H F Ki = 368.0 nM 465.45 NCc1cccc(C2CCN(C(=O)c3c[nH]c4c(F)cccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL189372 OBDepict OH O F F F H 2 N N O N N S Ki = 373.0 nM 530.57 NCc1cccc(C2CCN(C(=O)c3cn(-c4nccs4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL124571 OBDepict H 2 N N NH 2 NH H O N S O H N H OH O H 3 C _ O + N O OH Ki = 380.0 nM 509.55 CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=[N+]([O-])O Homo sapiens CHEMBL811864 single protein format
CHEMBL183473 OBDepict OH O F F F NH 2 N H N O N Cl H 3 C N H O H 2 N Ki = 390.0 nM 554.96 Cc1c(Cl)nc(NCc2cccc(CN)c2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL309580 OBDepict O N N H N N H O NH NH 2 Ki = 400.0 nM 498.63 N=C(N)c1ccc(CNC(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL187587 OBDepict OH O F F F H 2 N NH O N H 3 C O Cl N N H N N H Ki = 426.0 nM 529.91 Cc1c(Cl)nc(NCCc2c[nH]cn2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL340098 OBDepict OH O F F F CH 3 HN O HN O H O N S N NH 2 NH 2 Ki = 470.0 nM 504.49 CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F Homo sapiens CHEMBL811864 single protein format
CHEMBL378910 OBDepict NH 2 N H H O N N O O O N N O O Ki = 470.0 nM 564.64 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)OCc3ccccc3)CC2)n1 Homo sapiens CHEMBL864198 single protein format
CHEMBL191731 OBDepict OH O F F F NH 2 N O N Ki = 497.0 nM 543.63 NCc1cccc(C2CCN(C(=O)c3cn(CC4CCCCC4)c4ccccc34)CC2)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL839921 single protein format
CHEMBL184815 OBDepict NH 2 N H O N CH 3 O Cl N HN NH Ki = 518.0 nM 418.93 Cc1c(Cl)nc(NCC2CCCNC2)c(=O)n1CC(=O)Nc1cccc(CN)c1 Homo sapiens CHEMBL829613 cell-based format
CHEMBL187649 OBDepict OH O F F F NH 2 N H O N CH 3 O Cl N N H CH 3 N H 2 N Ki = 580.0 nM 555.95 Cc1nc(N)ccc1CNc1nc(Cl)c(C)n(CC(=O)Nc2cccc(CN)c2)c1=O.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL185008 OBDepict OH O F F F H 2 N HN N O N Cl CH 3 N H O NH 2 Ki = 615.0 nM 554.96 Cc1c(Cl)nc(NCc2ccc(CN)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL207229 OBDepict NH 2 NH HN S O O IC50 = 760.0 nM 347.48 NCc1ccc(CCCNCCNS(=O)(=O)c2ccccc2)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL213698 OBDepict H 2 N N H H O N N O O O O H 3 C Ki = 770.0 nM 452.51 COc1ccc(Cc2nc(C(=O)[C@H](CCCCN)NC(=O)OCc3ccccc3)no2)cc1 Homo sapiens CHEMBL864198 single protein format
CHEMBL207025 OBDepict NH 2 N H N H S O O IC50 = 810.0 nM 383.52 NCc1ccc(CCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL867493 single protein format
CHEMBL74695 OBDepict NH 2 NH HN HN N O N N H O Ki = 870.0 nM 513.65 N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 Homo sapiens CHEMBL817299 single protein format
CHEMBL364848 OBDepict OH O F F F NH 2 N H O N CH 3 O Cl N HN NH 2 Ki = 875.0 nM 540.93 Cc1c(Cl)nc(NCc2ccccc2N)c(=O)n1CC(=O)Nc1cccc(CN)c1.O=C(O)C(F)(F)F Homo sapiens CHEMBL829613 cell-based format
CHEMBL76769 OBDepict H 2 N NH NH NH N O N NH O Ki = 890.0 nM 553.71 N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)NC3CCC(c4ccccc4)(c4ccccc4)CC3)CC2)cc1 Homo sapiens CHEMBL817299 single protein format