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P30874 | SSR2_HUMAN | Somatostatin receptor type 2 (SSTR2)

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
CHEMBL1766103 OBDepict NH 2 O N H 3 C CH 3 Cl OH Ki = 0.025 nM 432.95 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766100 OBDepict CH 3 H 3 C N O Cl H HN N N CH 3 Ki = 0.025 nM 475.04 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766097 OBDepict CH 3 H 3 C N O Cl H HN OH Ki = 0.037 nM 487.04 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766099 OBDepict CH 3 H 3 C N O Cl H HN O NH 2 Ki = 0.038 nM 514.07 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(C(N)=O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766109 OBDepict CH 3 CH 3 N H O Cl NH Cl Ki = 0.062 nM 507.51 Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766096 OBDepict CH 3 CH 3 N O Cl H NH HO Ki = 0.08 nM 487.04 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(O)cc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766102 OBDepict NH 2 O N CH 3 H 3 C Cl O NH 2 Ki = 0.08 nM 459.98 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(C(N)=O)c4)cc3c2OCCCN)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766098 OBDepict HO Cl N O H HN CH 3 CH 3 Ki = 0.1 nM 501.07 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(CO)cc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766095 OBDepict CH 3 H 3 C N O Cl H HN N Ki = 0.11 nM 472.03 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccncc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766094 OBDepict CH 3 CH 3 N O Cl H NH N F Ki = 0.12 nM 490.02 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(F)nc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766093 OBDepict CH 3 CH 3 N O Cl H NH N Cl Ki = 0.13 nM 506.48 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(Cl)nc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766104 OBDepict OH N O Cl H N H N N CH 3 Ki = 0.13 nM 477.01 Cn1cc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cccc(CO)c4)cnc3cc2Cl)cn1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766089 OBDepict CH 3 H 3 C N O Cl H HN N Ki = 0.13 nM 472.03 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccnc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766105 OBDepict OH N O H HN OH Ki = 0.13 nM 468.6 OCc1cccc(-c2ccc3ncc(-c4cccc(CO)c4)c(OCC[C@H]4CCCCN4)c3c2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766110 OBDepict CH 3 H 3 C N H O Cl HN Ki = 0.18 nM 473.06 Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL4206924 OBDepict CH 3 O N H O N NH H H 3 C H 3 C H 3 C H N O N H IC50 = 0.2 nM 581.76 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(c2ccccc2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL1766090 OBDepict CH 3 H 3 C N O Cl H HN N H O Ki = 0.27 nM 488.03 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(=O)[nH]c4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766091 OBDepict CH 3 CH 3 N O Cl H NH N H 2 N Ki = 0.6 nM 487.05 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4ccc(N)nc4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL4211422 OBDepict H 3 C O N H O N HN H CH 3 H 3 C H 3 C H N O N H O IC50 = 0.6 nM 587.77 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL1766092 OBDepict CH 3 O N Cl N O H HN CH 3 H 3 C Ki = 0.65 nM 502.06 COc1ccc(-c2cc3c(OCC[C@H]4CCCCN4)c(-c4cc(C)cc(C)c4)cnc3cc2Cl)cn1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL4215053 OBDepict CH 3 N H 3 C NH O CH 3 O N H H CH 3 H N O N H O IC50 = 0.69 nM 585.75 CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL4216387 OBDepict H 3 C O HN O N N H H CH 3 CH 3 CH 3 H N O N H O CH 3 H 3 C IC50 = 0.89 nM 589.78 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)CC(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL4203793 OBDepict H 3 C N CH 3 HN O CH 3 O N H H CH 3 H N O N H N O H 3 C H 3 C CH 3 IC50 = 0.98 nM 588.75 CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL355923 OBDepict H 2 N HN H O O O H 3 C CH 3 H 3 C NH H CH 3 H NH O N H Ki = 1.0 nM 563.74 C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)NCCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C Homo sapiens CHEMBL807093 single protein format
CHEMBL4208009 OBDepict H 3 C O HN O N N H H CH 3 CH 3 CH 3 H N O N H O CH 3 H 3 C IC50 = 1.1 nM 575.75 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL1766107 OBDepict CH 3 H 3 C O O N H H HN Cl F Ki = 1.5 nM 505.03 Cc1cc(C)cc(-c2c(OCC[C@H]3CCCCN3)c3cc(-c4ccc(F)cc4)c(Cl)cc3[nH]c2=O)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL1766101 OBDepict CH 3 H 3 C N O Cl H HN N N CH 3 Ki = 1.5 nM 475.04 Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL187768 OBDepict NH 2 N S N N N N H CH 3 Ki = 1.8 nM 456.62 Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 Homo sapiens CHEMBL827130 single protein format
CHEMBL4203387 OBDepict CH 3 N H 3 C NH O CH 3 O N H H CH 3 H N O N H N O IC50 = 1.8 nM 586.74 CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL434159 OBDepict H 2 N N S N N N O N H H 3 C Ki = 2.0 nM 484.63 Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 Homo sapiens CHEMBL827130 single protein format
CHEMBL4215052 OBDepict H 3 C N CH 3 HN O CH 3 O N H H CH 3 H N O N H O CH 3 H 3 C IC50 = 2.0 nM 573.74 CC(=O)c1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)C(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL435631 OBDepict O N N H CH 3 H 3 C H O N H O O N H N H NH 2 Ki = 2.1 nM 574.73 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(C2CCCN(c3ccccc3)C2)C1=O Homo sapiens CHEMBL807094 single protein format
CHEMBL4202861 OBDepict H 3 C O N H O N HN H CH 3 H 3 C H 3 C H N O N H N O IC50 = 2.1 nM 588.75 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C2CCC2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL147711 OBDepict NH 2 HN H O O O H 3 C H 3 C CH 3 N H H CH 3 H N O N H 3 C H Ki = 2.2 nM 577.77 C[C@@H](c1c[nH]c2ccccc12)[C@@H](NC(=O)N(C)CCCc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C Homo sapiens CHEMBL807093 single protein format
CHEMBL4204193 OBDepict CH 3 O NH O N N H H H 3 C CH 3 CH 3 H N O N H O O IC50 = 2.3 nM 599.73 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(C(=O)c2ccco2)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL4207735 OBDepict CH 3 O NH O N N H H CH 3 H 3 C H 3 C H N O N H N O CH 3 CH 3 H 3 C IC50 = 2.3 nM 590.77 CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)c1c[nH]c2ccccc12 Homo sapiens CHEMBL4179566 cell-based format
CHEMBL363092 OBDepict H 2 N N S N N N N H F Ki = 2.7 nM 460.58 NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL147499 OBDepict NH 2 N H H O O O CH 3 CH 3 H 3 C N H CH 3 H O N N H Ki = 3.6 nM 589.78 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL305279 OBDepict H 2 N NH O N H H N O N H Ki = 4.0 nM 539.72 NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL185861 OBDepict NH 2 N S N N N N H Cl Ki = 4.0 nM 477.04 NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL189554 OBDepict H 2 N N S N N N N H Cl Ki = 5.6 nM 477.04 NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL147092 OBDepict O N H N H H 3 C H O N H O O N H H NH 2 Cl Cl Ki = 7.3 nM 560.48 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL148309 OBDepict O N H N H CH 3 H O N H O O N H H H 2 N Ki = 8.5 nM 595.74 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCC(c2ccccc2)c2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL356717 OBDepict O N N H CH 3 H 3 C H O N H O O N H H NH 2 Ki = 11.0 nM 533.67 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N(C)C[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL364418 OBDepict NH 2 N S N N N N H F Ki = 12.0 nM 460.58 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2cc(F)ccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL191025 OBDepict NH 2 N S N N N N H Ki = 12.0 nM 442.59 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL148255 OBDepict NH 2 N H H O O O CH 3 CH 3 H 3 C N H CH 3 H O N N H Ki = 14.0 nM 561.73 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL335223 OBDepict NH 2 NH H O O O CH 3 CH 3 CH 3 N H H 3 C H O N H N O CH 3 H 3 C Ki = 15.0 nM 583.77 CC(C)C(=O)N1CCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)CC1 Homo sapiens CHEMBL805713 single protein format
CHEMBL147939 OBDepict O N H N H H 3 C H O N H O O N H H NH 2 Ki = 18.0 nM 519.65 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCc2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL69303 OBDepict NH 2 H H N H O N H H N O N H Ki = 20.0 nM 539.72 NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL1766108 OBDepict CH 3 H 3 C N O Cl H HN HN O N N Ki = 20.0 nM 516.05 Cc1cc(C)cc(-c2cnc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCCN2)c1 Homo sapiens CHEMBL1767825 cell-based format
CHEMBL190070 OBDepict H 2 N N N S N N H 3 C H 3 C O N H H 3 C Ki = 23.0 nM 512.68 Cc1cccc2c(C(=O)C(C)(C)CSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 Homo sapiens CHEMBL827130 single protein format
CHEMBL336108 OBDepict H 2 N N H H O O O H 3 C H 3 C CH 3 N H CH 3 H O N H N O H 3 C H 3 C Ki = 23.0 nM 597.8 CC(C)CC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 Homo sapiens CHEMBL801241 single protein format
CHEMBL188402 OBDepict NH 2 N S N N N N N H Ki = 32.0 nM 443.58 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cnc2ccccc2n1 Homo sapiens CHEMBL827130 single protein format
CHEMBL341646 OBDepict O N H N H CH 3 H O N H O O N H H H 2 N N HO N Ki = 40.0 nM 575.67 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCCn2c(O)nc3ccccc32)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL2112223 OBDepict NH 2 N H O N H H N O N H Ki = 46.0 nM 499.66 NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL148149 OBDepict NH 2 HN H O O O H 3 C H 3 C CH 3 N H CH 3 H O N N H Ki = 47.0 nM 575.75 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCc2ccccc2)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL2112222 OBDepict H 2 N N H O H 2 N O N H H N O N H Ki = 53.0 nM 542.68 NCCCCC(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1)C(N)=O Homo sapiens CHEMBL805714 cell-based format
CHEMBL227212 OBDepict NH 2 N H N H O O N H N H H O IC50 = 83.0 nM 551.69 NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O Homo sapiens CHEMBL888500 single protein format
CHEMBL316559 OBDepict H 2 N N H H O O O CH 3 CH 3 H 3 C N H H O N H IC50 = 85.0 nM 568.72 CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL801243 cell-based format
CHEMBL337178 OBDepict H 2 N N H H O O O H 3 C H 3 C CH 3 N H CH 3 H O N H N N H O H 3 C H 3 C Ki = 95.0 nM 598.79 CC(C)NC(=O)N1CCCC(C(=O)NC(C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc23)C1 Homo sapiens CHEMBL801241 single protein format
CHEMBL188767 OBDepict NH 2 N S N N N H Ki = 100.0 nM 441.6 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 Homo sapiens CHEMBL827130 single protein format
CHEMBL341645 OBDepict O HN N H CH 3 H O N H O O N H H H 2 N Ki = 122.0 nM 555.68 C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)NC[C@H]1OC[C@H](N)CO1)N1CCN(CCc2cccc3ccccc23)C1=O Homo sapiens CHEMBL807093 single protein format
CHEMBL191255 OBDepict H 2 N N S N N N H Ki = 150.0 nM 441.6 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2ccccc12 Homo sapiens CHEMBL827130 single protein format
CHEMBL191171 OBDepict H 2 N N S N N S N H Ki = 160.0 nM 447.63 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cc2ccccc2s1 Homo sapiens CHEMBL827130 single protein format
CHEMBL435981 OBDepict H 2 N NH H O O O CH 3 CH 3 CH 3 N H H 3 C H O N H N H Ki = 178.0 nM 513.68 C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCNC1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C Homo sapiens CHEMBL801241 single protein format
CHEMBL188777 OBDepict H 2 N N S N N N H N H Ki = 220.0 nM 430.58 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2cc[nH]c12 Homo sapiens CHEMBL827130 single protein format
CHEMBL308444 OBDepict H 2 N N H O N H H N O N H Ki = 225.0 nM 513.69 NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL187498 OBDepict H 2 N N S N N Br N H Ki = 250.0 nM 470.44 NCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc(Br)c1 Homo sapiens CHEMBL827130 single protein format
CHEMBL93351 OBDepict H 2 N N O N O H S N H IC50 = 275.0 nM 554.76 NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 Homo sapiens CHEMBL801246 single protein format
CHEMBL473160 OBDepict OH O F F F NH 2 N H O O O H 3 C N H N H H O IC50 = 290.0 nM 590.6 COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F Homo sapiens CHEMBL1009179 cell-based format
CHEMBL501699 OBDepict OH O F F F NH 2 N H NH O O N H NH H O H 3 C IC50 = 292.0 nM 589.61 CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O.O=C(O)C(F)(F)F Homo sapiens CHEMBL1009179 cell-based format
CHEMBL69575 OBDepict H 2 N N H O N H H N O N H Ki = 300.0 nM 485.63 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL140151 OBDepict S N H HN N N N N H Br Cl Cl Ki = 310.0 nM 542.33 S=C(NCCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL3287613 OBDepict F N H O H H NH N H Ki = 311.0 nM 365.45 O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 Homo sapiens CHEMBL3296537 cell membrane format
CHEMBL227211 OBDepict NH 2 N O N H HN H O IC50 = 357.0 nM 508.67 NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O Homo sapiens CHEMBL888500 single protein format
CHEMBL365627 OBDepict NH 2 N S N N N H 3 C H Ki = 430.0 nM 419.6 CCc1ccc(-c2nnc(SCCc3c[nH]c4ccccc34)n2CCCCN)cc1 Homo sapiens CHEMBL827130 single protein format
CHEMBL344404 OBDepict H N N N H N SH N N + N Cl O _ O Cl Ki = 500.0 nM 508.44 O=[N+]([O-])c1ccc(N(CC/N=C(S)NCCCc2c[nH]cn2)Cc2ccc(Cl)c(Cl)c2)nc1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL433872 OBDepict S NH N H N N N H N Br Cl Cl Ki = 565.0 nM 570.39 S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL363712 OBDepict H 2 N N S N N N H Ki = 610.0 nM 455.63 NCCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 Homo sapiens CHEMBL827130 single protein format
CHEMBL302567 OBDepict H 2 N N H O N H N O N H Ki = 615.0 nM 485.63 NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL103769 OBDepict S N H N H N N N N H Br Cl Cl Ki = 621.0 nM 556.36 S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL426072 OBDepict NH 2 N S N N N H Ki = 640.0 nM 427.58 NCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 Homo sapiens CHEMBL827130 single protein format
CHEMBL1254476 OBDepict NH 2 HN O H H O O H O H HO H O CH 3 IC50 = 650.0 nM 544.65 COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O Homo sapiens CHEMBL1252084 cell-based format
CHEMBL359215 OBDepict S N H HN N N N H N Br Cl Cl Ki = 777.0 nM 584.41 S=C(NCCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCc1c[nH]cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL142986 OBDepict S HN HN N N N N H Br Ki = 778.0 nM 537.53 S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL305261 OBDepict H 2 N N H O N H H N O N H Ki = 815.0 nM 471.61 NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 Homo sapiens CHEMBL805714 cell-based format
CHEMBL145472 OBDepict H 2 N N NH HS N N Br Cl Cl Ki = 830.0 nM 519.34 NCCCC/N=C(S)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL142422 OBDepict S N H NH N N N N H Br Cl Cl Ki = 894.0 nM 528.31 S=C(NCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL1254967 OBDepict H 2 N NH O H H S O H O H 3 C H OH H O Cl IC50 = 980.0 nM 545.1 CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN Homo sapiens CHEMBL1252084 cell-based format
CHEMBL142402 OBDepict Br N N N H Cl N S Cl N N H Ki = 1000.0 nM 568.37 S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)N1CCC(c2c[nH]cn2)CC1 Homo sapiens CHEMBL805715 cell-based format
CHEMBL143668 OBDepict H 2 N N N H SH N N Br Ki = 1000.0 nM 500.51 NCCCC/N=C(S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1 Homo sapiens CHEMBL805715 cell-based format