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P28907 | CD38_HUMAN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38)

3D structures mapped by conservation among orthologs

[ Domain: "N-deoxyribosyltransferase" // Rib_hydrolayse ]

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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
CHEMBL3426034 OBDepict H 3 C O O H H HN O N CH 3 S N Ki = 0.3 nM 413.54 COCCO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428361 single protein format
CHEMBL3426039 OBDepict CH 3 O H H HN O N CH 3 CH 3 S N Ki = 0.45 nM 383.52 CO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428361 single protein format
CHEMBL3426035 OBDepict H 3 C O O H H HN O N CH 3 CH 3 S N Ki = 0.7 nM 427.57 COCCO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428361 single protein format
CHEMBL3426065 OBDepict CH 3 HN O H H HN O N H CH 3 S N IC50 = 1.4 nM 396.52 CNC(=O)[C@H]1CC[C@H](Nc2cc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426064 OBDepict H 3 C N H O H H HN O N H S N IC50 = 3.4 nM 382.49 CNC(=O)[C@H]1CC[C@H](Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426037 OBDepict CH 3 O H H HN O N H CH 3 S N IC50 = 3.8 nM 369.49 CO[C@H]1CC[C@H](Nc2cc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426033 OBDepict H 3 C O O H H HN O N H CH 3 S N IC50 = 3.9 nM 413.54 COCCO[C@H]1CC[C@H](Nc2cc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4229241 OBDepict NH 2 O HN N N NH N H 2 N N H F F F F IC50 = 4.0 nM 514.49 NC(=O)c1cccc2c1NC(N1Cc3c(N)n[nH]c3C13CC3)=NC2NCc1c(F)cccc1C(F)(F)F Homo sapiens CHEMBL4222829 assay format
CHEMBL3426066 OBDepict H 3 C N H O H H HN O N CH 3 S N IC50 = 4.8 nM 396.52 CNC(=O)[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426067 OBDepict CH 3 HN O H H HN O N CH 3 CH 3 S N IC50 = 5.3 nM 410.54 CNC(=O)[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426032 OBDepict H 3 C O O H H HN O N H S N IC50 = 6.0 nM 399.52 COCCO[C@H]1CC[C@H](Nc2cc(=O)[nH]c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426034 OBDepict H 3 C O O H H HN O N CH 3 S N IC50 = 7.3 nM 413.54 COCCO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4225752 OBDepict H 2 N O NH N N HN N NH 2 N H F F F F IC50 = 7.8 nM 528.51 NC(=O)c1cccc2c1NC(N1Cc3c(N)n[nH]c3C13CCC3)=NC2NCc1c(F)cccc1C(F)(F)F Homo sapiens CHEMBL4222829 assay format
CHEMBL3426035 OBDepict H 3 C O O H H HN O N CH 3 CH 3 S N IC50 = 10.0 nM 427.57 COCCO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426038 OBDepict H 3 C O H H NH O N CH 3 S N IC50 = 13.0 nM 369.49 CO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426040 OBDepict CH 3 N O HN H S N H OH IC50 = 14.0 nM 355.46 Cn1c(=O)cc(N[C@H]2CC[C@H](O)CC2)c2cc(-c3cncs3)ccc21 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426030 OBDepict CH 3 N O NH S N O Ki = 14.0 nM 341.44 Cn1c(=O)cc(NC2CCOCC2)c2cc(-c3cncs3)ccc21 Homo sapiens CHEMBL3428361 single protein format
CHEMBL3426039 OBDepict CH 3 O H H HN O N CH 3 CH 3 S N IC50 = 15.0 nM 383.52 CO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4224903 OBDepict NH 2 O NH N N HN N NH 2 N H F F F F IC50 = 17.0 nM 542.54 NC(=O)c1cccc2c1NC(N1Cc3c(N)n[nH]c3C13CCCC3)=NC2NCc1c(F)cccc1C(F)(F)F Homo sapiens CHEMBL4222829 assay format
CHEMBL4224854 OBDepict NH 2 O NH N N HN H 3 C CH 3 N H 2 N N H F F F F IC50 = 20.0 nM 516.5 CC1(C)c2[nH]nc(N)c2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL4226017 OBDepict NH 2 O NH N N HN H CH 3 N H 3 C N H F F F F IC50 = 21.0 nM 501.49 Cc1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)[C@@H]2C Homo sapiens CHEMBL4222829 assay format
CHEMBL3426058 OBDepict H 3 C O H H NH N HO N CH 3 S N IC50 = 26.0 nM 370.48 CO[C@H]1CC[C@H](Nc2nc(O)nc3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426057 OBDepict OH N N HN CH 3 Cl S F N IC50 = 28.0 nM 386.84 Cc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12 Homo sapiens CHEMBL3428359 assay format
CHEMBL4226243 OBDepict NH 2 O NH N N HN N H N CH 3 F F F F IC50 = 42.0 nM 487.46 Cc1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426061 OBDepict CH 3 HN O H H HN N CH 3 N S F F F N IC50 = 42.0 nM 449.5 CNC(=O)[C@H]1CC[C@H](Nc2nc(C)nc3c(C(F)(F)F)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4226271 OBDepict NH 2 O NH N N HN H CH 3 N H 2 N N H F F F F IC50 = 45.0 nM 502.48 C[C@@H]1c2[nH]nc(N)c2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426188 OBDepict H CH 3 H NH N N S N IC50 = 49.0 nM 324.45 C[C@@H]1CCCC[C@@H]1Nc1ncnc2ccc(-c3cncs3)cc12 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426063 OBDepict H 3 C NH O H H NH N H 3 C N CH 3 S N IC50 = 50.0 nM 395.53 CNC(=O)[C@H]1CC[C@H](Nc2nc(C)nc3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4227839 OBDepict H N N N H H 3 C N NH N H O NH 2 F F F F IC50 = 51.0 nM 487.46 C[C@@H]1c2n[nH]cc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426031 OBDepict CH 3 N CH 3 S HN O N O IC50 = 52.0 nM 355.46 Cc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)n(C)c12 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426060 OBDepict H 3 C O H H NH N O N CH 3 S N IC50 = 53.0 nM 370.48 CO[C@H]1CC[C@H](Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426036 OBDepict CH 3 O O H H NH O N H 3 C S N IC50 = 54.0 nM 427.57 CCn1c(=O)cc(N[C@H]2CC[C@H](OCCOC)CC2)c2cc(-c3cncs3)ccc21 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426029 OBDepict O N H HN CH 3 O S N IC50 = 55.0 nM 341.44 Cc1cc(-c2cncs2)cc2c(NC3CCOCC3)cc(=O)[nH]c12 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426027 OBDepict H 3 C HN O H H HN O N CH 3 S N IC50 = 58.0 nM 410.54 CCn1c(=O)cc(N[C@H]2CC[C@H](C(=O)NC)CC2)c2cc(-c3cncs3)ccc21 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426028 OBDepict O N H NH O S N IC50 = 61.0 nM 327.41 O=c1cc(NC2CCOCC2)c2cc(-c3cncs3)ccc2[nH]1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426059 OBDepict H 3 C O O H H HN N O N CH 3 S N IC50 = 64.0 nM 414.53 COCCO[C@H]1CC[C@H](Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4226629 OBDepict H 3 C H N N N NH H N N H O NH 2 F F F F IC50 = 71.0 nM 501.49 CC[C@@H]1c2[nH]ncc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL4227109 OBDepict H N N HN N NH O H 2 N F F F F IC50 = 72.0 nM 458.42 NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)cc(NCc3cn[nH]c3)nc12 Homo sapiens CHEMBL4222829 assay format
CHEMBL3604758 OBDepict F O NH 2 N N H CH 3 Cl Cl Cl IC50 = 76.0 nM 412.68 Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cc(F)cc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426191 OBDepict NH 2 O H H NH N N S N IC50 = 78.0 nM 353.45 NC(=O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4227578 OBDepict NH 2 O NH N N N H N CH 3 N F F F F IC50 = 82.0 nM 487.46 Cn1ncc2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL4227062 OBDepict H 3 C N N H N N NH N H O NH 2 F F F F IC50 = 83.0 nM 501.49 CCc1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426030 OBDepict CH 3 N O NH S N O IC50 = 89.0 nM 341.44 Cn1c(=O)cc(NC2CCOCC2)c2cc(-c3cncs3)ccc21 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426193 OBDepict H 3 C N H O H H HN N N S N IC50 = 92.0 nM 381.51 CCNC(=O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4227304 OBDepict F NH F F F N N N O H 2 N N H N IC50 = 92.0 nM 471.42 NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(N3Cc4cn[nH]c4C3)nc12 Homo sapiens CHEMBL4222829 assay format
CHEMBL4225684 OBDepict NH 2 O NH N N HN N H N H 2 N F F F F IC50 = 110.0 nM 488.45 NC(=O)c1cccc2c1NC(N1Cc3[nH]nc(N)c3C1)=NC2NCc1c(F)cccc1C(F)(F)F Homo sapiens CHEMBL4222829 assay format
CHEMBL4226909 OBDepict NH 2 O NH N N HN N H N F OH CH 3 H F F F IC50 = 110.0 nM 517.49 C[C@H](O)c1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426186 OBDepict CH 3 HN N N S N IC50 = 117.0 nM 324.45 CC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604739 OBDepict CH 3 N N H O H 2 N F Cl Cl IC50 = 130.0 nM 378.23 Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426094 OBDepict HN N N S N IC50 = 132.0 nM 310.43 c1nc(NC2CCCCC2)c2cc(-c3cncs3)ccc2n1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426187 OBDepict H CH 3 H NH N N S N IC50 = 140.0 nM 324.45 C[C@H]1CCCC[C@@H]1Nc1ncnc2ccc(-c3cncs3)cc12 Homo sapiens CHEMBL3428359 assay format
CHEMBL4226529 OBDepict NH 2 O NH N N HN N H N F O CH 3 F F F IC50 = 140.0 nM 515.47 CC(=O)c1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426189 OBDepict CH 3 NH N N S N IC50 = 142.0 nM 324.45 CC1CCCC(Nc2ncnc3ccc(-c4cncs4)cc23)C1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426184 OBDepict NH 2 N O HN N N S N IC50 = 149.0 nM 354.44 NC(=O)N1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604735 OBDepict CH 3 N N H O H 2 N Cl Cl Cl IC50 = 150.0 nM 394.69 Cc1cc(NCc2c(Cl)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL4226721 OBDepict H 3 C N N N N H N H NH O H 2 N F F F F IC50 = 160.0 nM 489.48 Cn1cc2c(n1)CN(C1Nc3c(C(N)=O)cccc3C(NCc3c(F)cccc3C(F)(F)F)N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL4225165 OBDepict NH 2 O NH N N HN H CH 3 N H 3 C N H F F F F IC50 = 170.0 nM 501.49 Cc1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)[C@H]2C Homo sapiens CHEMBL4222829 assay format
CHEMBL3604737 OBDepict CH 3 N N H O H 2 N F Cl F IC50 = 170.0 nM 361.78 Cc1cc(NCc2c(F)ccc(F)c2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426056 OBDepict F Cl HN N N CH 3 S N IC50 = 206.0 nM 370.84 Cc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12 Homo sapiens CHEMBL3428359 assay format
CHEMBL4228311 OBDepict NH 2 O NH N N HN N H N F OH CH 3 H F F F IC50 = 230.0 nM 517.49 C[C@@H](O)c1n[nH]c2c1CN(C1=NC(NCc3c(F)cccc3C(F)(F)F)c3cccc(C(N)=O)c3N1)C2 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426062 OBDepict H 3 C N H O H H HN N N F F F CH 3 S N IC50 = 245.0 nM 449.5 CNC(=O)[C@H]1CC[C@H](Nc2nc(C(F)(F)F)nc3c(C)cc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426055 OBDepict NH 2 O HN N N S F F F N IC50 = 263.0 nM 415.4 NC(=O)c1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604740 OBDepict CH 3 N N H O H 2 N F Cl CH 3 IC50 = 280.0 nM 357.82 Cc1cc(NCc2c(F)ccc(C)c2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426093 OBDepict NH N N S N IC50 = 281.0 nM 296.4 c1nc(NC2CCCC2)c2cc(-c3cncs3)ccc2n1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426068 OBDepict F Cl HN N S N IC50 = 298.0 nM 355.83 Fc1ccc(Nc2ccnc3ccc(-c4cncs4)cc23)cc1Cl Homo sapiens CHEMBL3428359 assay format
CHEMBL4225439 OBDepict NH 2 O NH N N HN H CH 3 N H 2 N N H F F F F IC50 = 310.0 nM 502.48 C[C@H]1c2[nH]nc(N)c2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL4226170 OBDepict H 2 N O HN N N NH H H 3 C N H N F F F F IC50 = 330.0 nM 487.46 C[C@@H]1c2cn[nH]c2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL4226213 OBDepict H 3 C H N N N NH H N N H O NH 2 F F F F IC50 = 370.0 nM 501.49 CC[C@H]1c2[nH]ncc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426190 OBDepict OH HN N N S N IC50 = 406.0 nM 326.43 OC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4226985 OBDepict H N N N H H 3 C N NH N H O NH 2 F F F F IC50 = 410.0 nM 487.46 C[C@H]1c2n[nH]cc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 Homo sapiens CHEMBL4222829 assay format
CHEMBL4225801 OBDepict H N N HN N N NH O H 2 N F F F F IC50 = 450.0 nM 459.41 NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(NCc3cn[nH]c3)nc12 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426086 OBDepict N N N H N N S N IC50 = 460.0 nM 370.44 c1cn(-c2ccc(Nc3ncnc4ccc(-c5cncs5)cc34)cc2)cn1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426043 OBDepict OH O H H NH N N S N IC50 = 498.0 nM 354.44 O=C(O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604734 OBDepict CH 3 N N H O H 2 N F F F F IC50 = 510.0 nM 377.34 Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426084 OBDepict NH 2 O HN N N S N IC50 = 560.0 nM 347.4 NC(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 Homo sapiens CHEMBL3428359 assay format
CHEMBL4228591 OBDepict H N N CH 3 HN N N NH O H 2 N F F F F IC50 = 620.0 nM 473.43 Cc1n[nH]cc1CNc1nc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL4222829 assay format
CHEMBL3604717 OBDepict CH 3 N N H O NH 2 Cl Cl IC50 = 620.0 nM 360.24 Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL4226457 OBDepict F N H F F F N N N O NH 2 N N H IC50 = 630.0 nM 485.45 NC(=O)c1cccc2c(NCc3c(F)cccc3C(F)(F)F)nc(N3CCc4[nH]ncc4C3)nc12 Homo sapiens CHEMBL4222829 assay format
CHEMBL3426072 OBDepict Cl NH N N S N IC50 = 700.0 nM 338.82 Clc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426081 OBDepict NH 2 S O O N H N N S N IC50 = 700.0 nM 383.46 NS(=O)(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604732 OBDepict CH 3 N N H O NH 2 F Cl IC50 = 780.0 nM 343.79 Cc1cc(NCc2c(F)cccc2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format
CHEMBL3426069 OBDepict HN N N S N IC50 = 840.0 nM 304.38 c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426085 OBDepict N O N H N N S N IC50 = 840.0 nM 371.43 c1nc(Nc2ccc(-c3cnco3)cc2)c2cc(-c3cncs3)ccc2n1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426090 OBDepict N HN N N S N IC50 = 950.0 nM 305.37 c1cc(Nc2ncnc3ccc(-c4cncs4)cc23)ccn1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426044 OBDepict H N H N H S O O CH 3 N S N IC50 = 959.0 nM 388.52 CS(=O)(=O)[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426075 OBDepict F NH N N S N IC50 = 970.0 nM 322.37 Fc1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426082 OBDepict H 3 C S HN O O N H N N S N IC50 = 970.0 nM 397.49 CS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3426192 OBDepict NH 2 O H H NH N N S N IC50 = 971.0 nM 353.45 NC(=O)[C@@H]1CCC[C@@H](Nc2ncnc3ccc(-c4cncs4)cc23)C1 Homo sapiens CHEMBL3428359 assay format
CHEMBL3604722 OBDepict CH 3 N N H O NH 2 Cl Cl IC50 = 990.0 nM 360.24 Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 Homo sapiens CHEMBL3607749 assay format