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P21452 | NK2R_HUMAN | Substance-K receptor (TACR2)

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
CHEMBL308148 OBDepict CH 3 N H O N H N CH 3 Cl O Cl IC50 = 0.13 nM 552.55 CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL744866 cell-based format
CHEMBL3642171 OBDepict Cl N O H 3 C H H N Cl Cl N O CH 3 IC50 = 0.22 nM 536.93 CC(=O)N1CCC(CN2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642170 OBDepict OH N O N O H H N CH 3 O Cl Cl Cl IC50 = 0.22 nM 566.91 CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C2CCN(C(=O)CO)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642166 OBDepict O N H N H N CH 3 O H 3 C O Cl Cl F F F IC50 = 0.23 nM 584.47 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642168 OBDepict O N H N H N H 3 C O CH 3 O Cl Cl IC50 = 0.25 nM 556.53 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C4CC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642164 OBDepict Cl N O CH 3 H H N O Cl Cl N O H 3 C IC50 = 0.31 nM 550.91 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642157 OBDepict Br N O CH 3 H N O Cl Cl N O H 3 C IC50 = 0.45 nM 595.37 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL308148 OBDepict CH 3 N H O N H N CH 3 Cl O Cl Ki = 0.5 nM 552.55 CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL815486 cell-based format
CHEMBL4111499 OBDepict CH 3 O O O Cl IC50 = 0.55 nM 290.75 CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL3642165 OBDepict CH 3 O N O CH 3 H H N O Cl Cl N O H 3 C IC50 = 0.56 nM 546.5 COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL47739 OBDepict O NH H 3 C H N N N Ki = 0.6 nM 538.78 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL47775 OBDepict CH 3 N H 3 C N N N H O CH 3 H Ki = 0.7 nM 498.72 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL45129 OBDepict O NH H 3 C H N N N O Ki = 0.8 nM 540.75 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL3642169 OBDepict Br N N O CH 3 H H N O Cl Cl N O H 3 C IC50 = 0.82 nM 596.35 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cn3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL2115073 OBDepict CH 3 HO CH 3 N H N H 3 C Cl O Cl Ki = 0.84 nM 505.53 CCC(O)(CC)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL339767 OBDepict H 3 C N O H H N Cl Cl + S H 3 C _ O Ki = 0.92 nM 569.6 CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL813648 cell-based format
CHEMBL33106 OBDepict CH 3 O N O N Cl N N Cl O HO CH 3 CH 3 H 3 C Ki = 1.0 nM 589.56 CO/N=C(COCc1noc(C(C)(C)C)n1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL295770 OBDepict O HN CH 3 H N N CH 3 H 3 C CH 3 N Ki = 1.0 nM 512.74 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C(C)(C)C Homo sapiens CHEMBL818108 cell membrane format
CHEMBL3642160 OBDepict Cl N O CH 3 H N O Cl Cl N O H 3 C IC50 = 1.1 nM 550.91 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 1.2 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121489 single protein format
CHEMBL45961 OBDepict H 3 C CH 3 N O N N N H O CH 3 H Ki = 1.2 nM 526.73 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL106877 OBDepict H 3 C CH 3 N O N H O N H Cl Cl N N H Ki = 1.3 nM 582.58 Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL815484 cell-based format
CHEMBL443264 OBDepict CH 3 N HO N N CH 3 Cl O Cl Ki = 1.3 nM 490.48 CC/C(=NO)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL296857 OBDepict CH 3 CH 3 N H H O N N N CH 3 CH 3 Ki = 1.5 nM 520.72 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL33868 OBDepict CH 3 NH H O N N N Ki = 1.6 nM 546.76 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL3642161 OBDepict O N N H N CH 3 O H 3 C O Cl Cl IC50 = 1.7 nM 592.57 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccccc4)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL56835 OBDepict CH 3 N H O N N CH 3 Cl O Cl Ki = 1.75 nM 552.55 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL3642159 OBDepict H 3 C N O CH 3 H N O Cl Cl N O H 3 C IC50 = 2.0 nM 530.5 CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL32197 OBDepict CH 3 O N N CH 3 N O Cl Cl CH 3 H 3 C HO Ki = 2.0 nM 596.6 CO/N=C(CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL286901 OBDepict CH 3 O N N CH 3 N O Cl S Cl H 3 C HO Ki = 2.0 nM 588.6 CO/N=C(CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL2111522 OBDepict CH 3 N HO N N CH 3 Cl O Cl Ki = 2.1 nM 490.48 CC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL370013 OBDepict O N N Cl Cl O NH 2 IC50 = 2.25 nM 550.53 NC(=O)C1(c2ccccc2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 Homo sapiens CHEMBL882910 single protein format
CHEMBL3642158 OBDepict H 3 C O N O CH 3 H N O Cl Cl N O CH 3 IC50 = 2.3 nM 546.5 COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2c2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL3708009 cell-based format
CHEMBL447955 OBDepict O N H H H H O CH 3 H F F F F F F F Ki = 2.4 nM 555.53 C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL994713 single protein format
CHEMBL47412 OBDepict O N H CH 3 H N N NH Ki = 2.4 nM 456.63 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL166161 OBDepict CH 3 O + S N _ O N H F IC50 = 2.5 nM 414.55 COC1(C[S+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 Homo sapiens CHEMBL815378 single protein format
CHEMBL2115072 OBDepict CH 3 N HO N N CH 3 Cl O Cl Ki = 2.7 nM 490.48 CCC(=NO)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL108350 OBDepict CH 3 H 3 C N O N H O N H Cl Cl N N N H Ki = 3.0 nM 583.56 Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ncc[nH]4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL815484 cell-based format
CHEMBL519240 OBDepict NH 2 N N N O H NH H Ki = 3.1 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947363 single protein format
CHEMBL320487 OBDepict CH 3 H 3 C N O N H O N H Cl Cl N Ki = 3.4 nM 593.6 Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL815484 cell-based format
CHEMBL106608 OBDepict O N N H N O Cl N Cl Ki = 3.4 nM 565.55 O=C(c1ccccc1)N1CCN(C(=O)CNC2CCN(Cc3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815484 cell-based format
CHEMBL56481 OBDepict CH 3 OH CH 3 N N CH 3 Cl O Cl Ki = 3.5 nM 505.53 CCC(O)(CC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL56788 OBDepict CH 3 OH N N CH 3 Cl O Cl Ki = 3.7 nM 491.5 CCCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL26860 OBDepict O N N Cl Cl O H 3 C IC50 = 3.9 nM 577.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1 Homo sapiens CHEMBL751788 single protein format
CHEMBL418224 OBDepict H 3 C O N N CH 3 N O Cl Cl O H 3 C HO Ki = 4.0 nM 598.57 CO/N=C(CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL284145 OBDepict CH 3 O N O N Cl Cl HO CH 3 H 3 C CH 3 Ki = 4.0 nM 597.63 CO/N=C(COCc1ccc(C(C)(C)C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL45362 OBDepict CH 3 N CH 3 N N N H O Ki = 4.2 nM 470.66 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL47544 OBDepict CH 3 NH H O N N N Ki = 4.6 nM 546.76 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL56143 OBDepict H 3 C OH CH 3 N N CH 3 Cl O Cl Ki = 4.7 nM 533.58 CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL110219 OBDepict CH 3 H 3 C N O N O N H Cl Cl N Ki = 4.9 nM 593.6 Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)C(c3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL815484 cell-based format
CHEMBL519240 OBDepict NH 2 N N N O H NH H IC50 = 5.7 nM 327.43 Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 Homo sapiens CHEMBL947363 single protein format
CHEMBL47713 OBDepict CH 3 N H H O N N N CH 3 CH 3 Ki = 5.7 nM 506.69 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL354422 OBDepict CH 3 N H 3 C NH O N O N O F F IC50 = 6.0 nM 576.69 CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1 Homo sapiens CHEMBL815378 single protein format
CHEMBL33215 OBDepict CH 3 O N N CH 3 N O Cl Cl CH 3 N H 3 C HO Ki = 6.0 nM 597.59 CO/N=C(CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL47179 OBDepict O N H CH 3 H N N O Ki = 6.1 nM 457.62 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL71918 OBDepict CH 3 N O N Cl Cl IC50 = 6.3 nM 419.4 CN(CC(CCN1CCCCC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL71784 OBDepict O N N Cl Cl N O IC50 = 6.3 nM 466.45 O=C(CC1CC1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL26790 OBDepict O N N Cl Cl N O N H IC50 = 6.4 nM 591.58 O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 Homo sapiens CHEMBL751788 single protein format
CHEMBL69065 OBDepict HO N N CH 3 Cl O Cl IC50 = 6.4 nM 435.39 CN(CC(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL308901 OBDepict H 3 C O N O N Cl Cl N O IC50 = 6.5 nM 518.49 COc1ccccc1C(=O)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL58638 OBDepict CH 3 O N CH 3 N N H 3 C Cl O Cl Ki = 6.5 nM 504.5 CC/C(=NOC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL307338 OBDepict CH 3 N O N Cl Cl HO N N H IC50 = 6.6 nM 501.46 CN(CC(CCN1CCC(O)(c2ncc[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL70157 OBDepict Cl Cl N N S O O N O IC50 = 6.7 nM 524.51 O=S(=O)(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL71704 OBDepict H 3 C N O N Cl Cl N N IC50 = 6.8 nM 457.41 CN(CC(CCN1CC(n2ccnc2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL305191 OBDepict CH 3 N O N Cl Cl N N N IC50 = 6.8 nM 486.45 CN(CC(CCN1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL52330 OBDepict O N N H N H N H O H O F F F F F F IC50 = 7.0 nM 502.42 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 Homo sapiens CHEMBL816315 cell-based format
CHEMBL69335 OBDepict O N H 3 C N Cl Cl IC50 < 7.0 nM 495.49 CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL32201 OBDepict CH 3 O N O N Cl Cl OH Ki = 7.0 nM 599.64 CO/N=C(COCC12CC3CC(CC(C3)C1)C2)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL362394 OBDepict O N N Cl Cl O NH 2 IC50 = 7.02 nM 550.53 NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1 Homo sapiens CHEMBL750304 cell-based format
CHEMBL71394 OBDepict O N CH 3 N Cl Cl N HO N IC50 = 7.1 nM 551.52 CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL71644 OBDepict Cl Cl N N O N O IC50 = 7.2 nM 474.43 O=C(c1ccccc1)N1CC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL304807 OBDepict CH 3 N O N Cl Cl N N H IC50 = 7.3 nM 535.52 CN(CC(CCN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL71226 OBDepict O N CH 3 N Cl Cl N HO N IC50 = 7.4 nM 537.49 CN(CC(CCN1CCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL69889 OBDepict Cl Cl N N O N O IC50 = 7.5 nM 488.46 O=C(c1ccccc1)N1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL301437 OBDepict CH 3 N O N Cl Cl HO CH 3 CH 3 Ki = 7.7 nM 477.48 CN(CC(CCN1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL71647 OBDepict H 3 C N O N Cl Cl N O IC50 = 7.7 nM 476.45 CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL68917 OBDepict CH 3 N O N Cl Cl N N IC50 = 7.7 nM 485.46 CN(CC(CCN1CCC(n2ccnc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL33302 OBDepict CH 3 O N O N Cl Cl CH 3 CH 3 HO Ki = 8.0 nM 569.57 CO/N=C(COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL305236 OBDepict O N CH 3 N Cl Cl N N IC50 = 8.1 nM 535.52 CN(CC(CCN1CCC(n2cnc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL74127 OBDepict O N CH 3 N Cl Cl N OH N IC50 = 8.4 nM 565.55 CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL71397 OBDepict O N CH 3 N Cl Cl HO IC50 = 8.9 nM 511.49 CN(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL56835 OBDepict CH 3 N H O N N CH 3 Cl O Cl IC50 = 8.9 nM 552.55 CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL815538 cell-based format
CHEMBL68440 OBDepict O N CH 3 N Cl Cl N OH N IC50 = 8.9 nM 551.52 CN(CC(CCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Homo sapiens CHEMBL815539 cell-based format
CHEMBL32173 OBDepict CH 3 O N O N Cl Cl HO CH 3 Ki = 9.0 nM 555.55 CO/N=C(COCc1ccc(C)cc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL296122 OBDepict CH 3 HN CH 3 H 3 C O N N N CH 3 CH 3 Ki = 9.2 nM 458.65 CC(C)C(C)NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12 Homo sapiens CHEMBL818108 cell membrane format
CHEMBL417940 OBDepict CH 3 O N N CH 3 Cl O Cl Ki = 9.2 nM 475.46 CCC(=O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL59542 OBDepict H 3 C N N CH 3 Cl O Cl Ki = 9.9 nM 461.48 CCCC1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL444086 OBDepict CH 3 O N O N Cl Cl O NH 2 IC50 = 11.8 nM 580.56 COc1ccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc1 Homo sapiens CHEMBL750304 cell-based format
CHEMBL32717 OBDepict H 3 C O N O N Cl Cl OH Ki = 12.0 nM 591.58 CO/N=C(COCc1ccc2ccccc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL173245 OBDepict H 3 C O N O N Cl Cl O H 2 N IC50 = 12.0 nM 580.56 COc1cccc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)c1 Homo sapiens CHEMBL750304 cell-based format
CHEMBL3651891 OBDepict F H N H N CH 3 O N O H 3 C N Cl Cl O CH 3 IC50 = 12.0 nM 549.47 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 Homo sapiens CHEMBL3707714 single protein format
CHEMBL32533 OBDepict H 3 C O N O N Cl Cl OH Ki = 13.0 nM 547.57 CO/N=C(COCC1CCCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL56739 OBDepict CH 3 OH N N CH 3 Cl O Cl Ki = 13.1 nM 477.48 CCC(O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL745033 cell-based format
CHEMBL166675 OBDepict F N H N OH + S _ O IC50 = 13.4 nM 450.58 [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1 Homo sapiens CHEMBL815378 single protein format
CHEMBL32477 OBDepict CH 3 O N O N Cl Cl CH 3 OH Ki = 14.0 nM 555.55 CO/N=C(COCc1cccc(C)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL303868 OBDepict O N N H H N H O N H IC50 = 14.0 nM 506.65 O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 Homo sapiens CHEMBL744866 cell-based format
CHEMBL181004 OBDepict O NH N H H N H O O N O F Ki = 16.0 nM 520.61 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL839693 single protein format
CHEMBL176682 OBDepict H 3 C O N O N Cl Cl O H 2 N IC50 = 16.7 nM 580.56 COc1ccccc1C(=O)N1CCC(CCN2CCC(C(N)=O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL750304 cell-based format
CHEMBL290786 OBDepict CH 3 O N O N Cl Cl N HO N O Ki = 17.0 nM 583.52 CO/N=C(COCc1ccc2nonc2c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL817322 single protein format
CHEMBL305509 OBDepict O N N H H N O H 3 C N H IC50 = 18.0 nM 518.66 CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL744866 cell-based format