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P09467 | F16P1_HUMAN | "Fructose-1,6-bisphosphatase 1" (FBP1)

3D structures mapped by conservation among orthologs

[ Domain: "Rossmann-like domain in carbohydrate phosphatases" // FBPase_C ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1173125 OBDepict CH 3 O O N H H 3 C H P NH O O H 3 C H O O H 3 C N S O NH 2 IC50 = 1.0 nM 524.54 CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(N)=O)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL589266 OBDepict H 2 N O O S N P O OH OH IC50 = 1.0 nM 326.27 NC(=O)c1ccc(OCP(=O)(O)O)c2c1Cc1scnc1-2 Homo sapiens CHEMBL1074153 assay format
CHEMBL597891 OBDepict H 3 C N H O O S N P O OH OH IC50 = 2.0 nM 340.3 CNC(=O)c1ccc(OCP(=O)(O)O)c2c1Cc1scnc1-2 Homo sapiens CHEMBL1074153 assay format
CHEMBL1173126 OBDepict CH 3 O O N H H 3 C H P NH O O H 3 C H O O H 3 C N S N H O H 3 C IC50 = 2.0 nM 538.56 CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NC)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL462979 OBDepict O HN N H S O O H 3 C N H HN O S O O H 3 C IC50 = 3.0 nM 530.63 Cc1cccc(S(=O)(=O)NC(=O)NCc2ccc(CNC(=O)NS(=O)(=O)c3cccc(C)c3)cc2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL597692 OBDepict HO P O OH O N S N N IC50 = 3.0 nM 361.32 O=P(O)(O)COc1ccc(-c2cncnc2)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL462978 OBDepict O HN N H S O O Cl N H HN O S O O Cl IC50 = 6.0 nM 571.46 O=C(NCc1ccc(CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1173572 OBDepict CH 3 O O N H H 3 C H P NH O O H 3 C H O O H 3 C N H 3 C S IC50 = 8.0 nM 495.54 CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL597282 OBDepict H 3 C O S N P O OH OH IC50 = 8.0 nM 297.27 Cc1ccc(OCP(=O)(O)O)c2c1Cc1scnc1-2 Homo sapiens CHEMBL1074153 assay format
CHEMBL597484 OBDepict Cl O S N P O OH OH IC50 = 8.0 nM 317.69 O=P(O)(O)COc1ccc(Cl)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL605956 OBDepict HO P O OH O N S N IC50 = 9.0 nM 360.33 O=P(O)(O)COc1ccc(-c2ccncc2)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL597691 OBDepict HO P O OH O N S N IC50 = 9.0 nM 360.33 O=P(O)(O)COc1ccc(-c2cccnc2)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL592639 OBDepict F F O S N P O OH OH IC50 = 9.0 nM 319.22 O=P(O)(O)COc1cc(F)c(F)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL457189 OBDepict O HN N H S O O Cl N H N H O S O O Cl IC50 = 9.0 nM 565.5 O=C(NCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL609616 OBDepict H 3 C H 3 C O S N P O OH OH IC50 = 10.0 nM 311.3 Cc1cc(OCP(=O)(O)O)c2c(c1C)Cc1scnc1-2 Homo sapiens CHEMBL1074153 assay format
CHEMBL259771 OBDepict CH 3 O O HN CH 3 H P HN O O CH 3 H O O N S H 3 C H 2 N CH 3 H 3 C IC50 = 10.0 nM 500.56 CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 Homo sapiens CHEMBL1175836 single protein format
CHEMBL1172936 OBDepict CH 3 O O NH P N H O O O O H 3 C N H 3 C H 3 C S IC50 = 10.0 nM 481.51 CCOC(=O)CNP(=O)(COc1cc(C)c(C)c2c1-c1ncsc1C2)NCC(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL1096789 OBDepict H 3 C O O N H CH 3 H P NH O O H 3 C H O O H 3 C CH 3 N CH 3 S IC50 = 10.0 nM 509.57 CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL1650184 OBDepict H 2 N S N O P O OH OH IC50 = 10.0 nM 328.33 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C2CCCCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1172935 OBDepict H 3 C O H 3 C O N H CH 3 H P HN O O H 3 C H O O CH 3 CH 3 H 3 C N CH 3 S IC50 = 10.0 nM 537.62 Cc1cc(OCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)c2c(c1C)Cc1scnc1-2 Homo sapiens CHEMBL1175836 single protein format
CHEMBL1173636 OBDepict CH 3 O O N H H 3 C H P NH O O H 3 C H O O H 3 C N S CH 3 IC50 = 11.0 nM 509.57 CCOC(=O)[C@H](C)NP(=O)(COc1ccc(CC)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL1173571 OBDepict CH 3 O O N H H 3 C H P NH O O H 3 C H O O H 3 C N S N H O CH 3 CH 3 H 3 C IC50 = 11.0 nM 594.67 CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NCC(C)(C)C)c2c1-c1ncsc1C2)N[C@@H](C)C(=O)OCC Homo sapiens CHEMBL1175836 single protein format
CHEMBL592391 OBDepict H 3 C O S N P O OH OH IC50 = 11.0 nM 311.3 CCc1ccc(OCP(=O)(O)O)c2c1Cc1scnc1-2 Homo sapiens CHEMBL1074153 assay format
CHEMBL592390 OBDepict HO P O OH O N S IC50 = 12.0 nM 283.25 O=P(O)(O)COc1cccc2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL457400 OBDepict O HN N H S O O H 3 C N H N H O S O O H 3 C IC50 = 12.0 nM 524.67 Cc1cccc(S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1650209 OBDepict H 2 N S N O P O OH OH IC50 = 12.0 nM 372.34 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc3ccccc3c2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL463183 OBDepict O HN N H S O O H 3 C N H N H O S O O H 3 C IC50 = 12.0 nM 530.63 Cc1cccc(S(=O)(=O)NC(=O)NCc2cccc(CNC(=O)NS(=O)(=O)c3cccc(C)c3)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1650181 OBDepict H 2 N S N O H 3 C H 3 C H 3 C P O OH OH IC50 = 12.0 nM 316.32 CC(C)(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650205 OBDepict H 2 N S N O P Cl O OH OH IC50 = 13.0 nM 356.73 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc(Cl)cc2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL565809 OBDepict H 2 N S N O P O OH OH IC50 = 13.0 nM 298.26 Nc1nc2c(s1)CCc1ccc(OP(=O)(O)O)cc1-2 Homo sapiens CHEMBL1039077 assay format
CHEMBL1650203 OBDepict CH 3 O O S N NH 2 O P O OH HO IC50 = 14.0 nM 380.32 COC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 Homo sapiens CHEMBL1657811 assay format
CHEMBL501816 OBDepict CH 3 O O S N H 2 N O P O OH OH IC50 = 14.0 nM 318.25 CCOC(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL504104 OBDepict H 2 N N S O P O OH OH IC50 = 14.0 nM 322.28 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccccc2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650198 OBDepict NH 2 S N O O O P O OH HO IC50 = 15.0 nM 380.32 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL597483 OBDepict F O S N P O OH OH IC50 = 15.0 nM 301.24 O=P(O)(O)COc1ccc(F)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL495498 OBDepict CH 3 H 3 C S N NH 2 O P O HO OH IC50 = 16.0 nM 302.29 CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1037322 assay format
CHEMBL1650204 OBDepict H 2 N S N O P F O OH OH IC50 = 16.0 nM 340.27 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc(F)cc2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1649590 OBDepict H 2 N S N N O O P O OH OH IC50 = 16.0 nM 331.29 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(N2CCOCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL509861 OBDepict H 3 C S S N H 2 N O P O OH OH IC50 = 16.0 nM 320.33 CCCSc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL456977 OBDepict O HN N H S O O Cl N H HN O S O O Cl IC50 = 17.0 nM 551.47 O=C(NCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1650186 OBDepict NH 2 S N O P O HO OH IC50 = 18.0 nM 328.33 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650182 OBDepict H 2 N S N O P O OH OH IC50 = 19.0 nM 300.28 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C2CCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650185 OBDepict H 2 N S N O P O OH OH IC50 = 20.0 nM 300.28 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650179 OBDepict H 3 C S S N H 2 N O P O OH OH IC50 = 21.0 nM 368.38 CSc1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650201 OBDepict CH 3 O S N H 2 N O P O OH OH IC50 = 21.0 nM 352.31 COc1cccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)c1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650183 OBDepict H 2 N S N O P O OH OH IC50 = 21.0 nM 314.3 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C2CCCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650178 OBDepict H 3 C O S N H 2 N O P O OH OH IC50 = 22.0 nM 352.31 COc1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 Homo sapiens CHEMBL1657811 assay format
CHEMBL572208 OBDepict H 2 N S N O P O OH OH IC50 = 22.0 nM 312.29 Nc1nc2c(s1)CCCc1ccc(OP(=O)(O)O)cc1-2 Homo sapiens CHEMBL1039077 assay format
CHEMBL4784789 OBDepict NH 2 S N O O H 3 C H 3 C CH 3 P O HO OH IC50 = 24.0 nM 330.3 CC(C)(C)C(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL4729675 single protein format
CHEMBL1650195 OBDepict H 2 N S N S O H 3 C H 3 C H 3 C P O OH OH IC50 = 24.0 nM 334.36 CC(C)(C)Sc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650194 OBDepict CH 3 S H 3 C S N NH 2 O P O HO OH IC50 = 24.0 nM 320.33 CC(C)Sc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL456978 OBDepict O HN N H S O O H 3 C N H HN O S O O H 3 C IC50 = 24.0 nM 510.64 Cc1cccc(S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL4755209 OBDepict H 3 C O S N H O O O N N CH 3 NH Cl O H 3 C IC50 = 27.0 nM 500.96 COc1ccc(S(=O)(=O)NC(=O)c2nc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL1649997 OBDepict H 2 N S N CH 3 H 3 C O P O OH OH IC50 = 28.0 nM 288.26 CC(C)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL456155 OBDepict O HN N H S O O Cl H H N H HN O S O O Cl IC50 = 28.0 nM 577.51 O=C(NC[C@H]1CC[C@H](CNC(=O)NS(=O)(=O)c2cccc(Cl)c2)CC1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL606385 OBDepict HO P O OH O N S IC50 = 28.0 nM 359.34 O=P(O)(O)COc1ccc(-c2ccccc2)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL4759496 OBDepict H 3 C O S _ N O O O N CH 3 NH Cl O H 3 C + Na IC50 = 29.0 nM 521.96 COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1.[Na+] Homo sapiens CHEMBL4729629 assay format
CHEMBL458056 OBDepict O HN N H S O O H 3 C S S N H HN O S O O H 3 C IC50 = 29.0 nM 546.72 Cc1cccc(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1649996 OBDepict CH 3 S N H 2 N O P O OH OH IC50 = 30.0 nM 288.27 CCCc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL3218207 OBDepict CH 3 S O O N H 2 N O P O OH OH IC50 = 30.0 nM 318.25 CCSC(=O)c1oc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL3225162 assay format
CHEMBL1650206 OBDepict H 2 N S N O P O OH OH O H 3 C IC50 = 32.0 nM 364.32 CC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650193 OBDepict CH 3 S S N H 2 N O P O OH OH IC50 = 33.0 nM 306.31 CCSc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650208 OBDepict H 2 N S N O P O OH OH IC50 = 34.0 nM 398.38 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc(-c3ccccc3)cc2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL515042 OBDepict O HN N H S O O H 3 C N H HN O S O O H 3 C IC50 = 35.0 nM 538.69 Cc1cccc(S(=O)(=O)NC(=O)NCCCCCCCCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL3218224 OBDepict CH 3 O O O N H 2 N O P O OH OH IC50 = 38.0 nM 302.18 CCOC(=O)c1oc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL3225162 assay format
CHEMBL591317 OBDepict HO S H 3 C S HN O O HN O S N Cl O CH 3 IC50 = 40.0 nM 461.97 COc1ccc(Cl)c2sc(NC(=O)NS(=O)(=O)c3cc(C)c(CCO)s3)nc12 Homo sapiens CHEMBL1074684 assay format
CHEMBL3218436 OBDepict CH 3 O H 3 C O O N NH 2 O P O HO OH IC50 = 40.0 nM 316.21 CC(C)OC(=O)c1oc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL3225162 assay format
CHEMBL603871 OBDepict HO P O OH O N S N IC50 = 40.0 nM 360.33 O=P(O)(O)COc1ccc(-c2ccccn2)c2c1-c1ncsc1C2 Homo sapiens CHEMBL1074153 assay format
CHEMBL590359 OBDepict H 3 C CH 3 S CH 3 S NH O O HN O N S Br IC50 = 40.0 nM 438.39 Cc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)sc1CC(C)C Homo sapiens CHEMBL1074684 assay format
CHEMBL1650210 OBDepict H 2 N N S O O P O OH OH IC50 = 40.0 nM 312.24 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccco2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL456564 OBDepict O HN N H S O O Cl N H HN O S O O Cl IC50 = 40.0 nM 549.46 O=C(NCC/C=C/CCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL4784745 OBDepict H 3 C O S N H O O O N CH 3 NH + N O _ O O H 3 C IC50 = 40.0 nM 510.53 COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL1650207 OBDepict H 2 N S N O P S O OH OH O O H 3 C IC50 = 41.0 nM 400.37 CS(=O)(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650200 OBDepict H 3 C O S N H 2 N O P O OH OH IC50 = 43.0 nM 352.31 COc1ccccc1-c1sc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL1657811 assay format
CHEMBL1650211 OBDepict H 2 N N S O S P O OH OH IC50 = 44.0 nM 328.31 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2cccs2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL456563 OBDepict O HN N H S O O Cl N H HN O S O O Cl IC50 = 45.0 nM 579.53 O=C(NCCCCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL568686 OBDepict H 2 N S N P F F O OH OH IC50 = 47.0 nM 332.27 Nc1nc2c(s1)CCc1ccc(C(F)(F)P(=O)(O)O)cc1-2 Homo sapiens CHEMBL1039077 assay format
CHEMBL456320 OBDepict O HN N H S O O Cl N H N H O S O O Cl IC50 = 50.0 nM 537.45 O=C(NCCCCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL1650215 OBDepict H 3 C S N H 2 N O O P O OH HO IC50 = 50.0 nM 280.24 CCCc1sc(N)nc1C(=O)OCP(=O)(O)O Homo sapiens CHEMBL1657811 assay format
CHEMBL1650191 OBDepict H 2 N S N Br O P O OH OH IC50 = 50.0 nM 325.08 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(Br)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL4747278 OBDepict H 3 C O S N H O O O N CH 3 NH Cl O H 3 C IC50 = 52.0 nM 499.98 COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(OC)c4)ccc(Cl)c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL570790 OBDepict H 3 C N F N H 2 N H 3 C CH 3 O P O OH OH IC50 = 55.0 nM 381.34 CCc1cc(F)c(N)c2nc(-c3ccc(P(=O)(O)O)o3)n(CC(C)C)c12 Homo sapiens CHEMBL1037322 assay format
CHEMBL578622 OBDepict F NH 2 N N O P O OH OH IC50 = 55.0 nM 351.27 Nc1c(F)ccc2c1nc(-c1ccc(P(=O)(O)O)o1)n2CC1CC1 Homo sapiens CHEMBL1037322 assay format
CHEMBL570326 OBDepict CH 3 CH 3 N N O H 2 N P F O HO OH N CH 3 CH 3 IC50 = 55.0 nM 438.44 CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(CCCN(C)C)c21 Homo sapiens CHEMBL1037322 assay format
CHEMBL515524 OBDepict O HN N H S O O Cl S S N H HN O S O O Cl IC50 = 55.0 nM 587.55 O=C(NCCSSCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL4762728 OBDepict CH 3 O HN N Cl H 3 C N H O S O O N IC50 = 56.0 nM 494.96 COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)n3C)c1 Homo sapiens CHEMBL4729629 assay format
CHEMBL1650180 OBDepict H 2 N S N O F F F P O OH OH IC50 = 57.0 nM 328.21 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(F)(F)F)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL4750118 OBDepict H 3 C O S N H O O O N CH 3 NH + N O _ O N H O CH 3 IC50 = 59.0 nM 537.55 COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cccc(NC(C)=O)c4)ccc([N+](=O)[O-])c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL1650187 OBDepict NH 2 S N O P O HO OH IC50 = 59.0 nM 342.36 Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCCC2)s1 Homo sapiens CHEMBL1657811 assay format
CHEMBL571017 OBDepict CH 3 CH 3 N N O H 2 N P F O HO OH IC50 = 60.0 nM 393.36 CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(C3CC3)c21 Homo sapiens CHEMBL1037322 assay format
CHEMBL601691 OBDepict CH 3 O N H 3 C S CH 3 S NH O O NH O N S Br IC50 = 60.0 nM 503.43 COc1cc(C)c(-c2sc(S(=O)(=O)NC(=O)Nc3ncc(Br)s3)cc2C)cn1 Homo sapiens CHEMBL1074684 assay format
CHEMBL590111 OBDepict O HN NH S O O S H 3 C N F N S Br IC50 = 60.0 nM 477.36 Cc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)sc1-c1ccc(F)nc1 Homo sapiens CHEMBL1074684 assay format
CHEMBL4763100 OBDepict H 3 C O S N H O O O N CH 3 NH + N O _ O O O H 3 C H 3 C IC50 = 63.0 nM 540.55 COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4cc(OC)cc(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL4764972 OBDepict H 3 C O S N H O O O N CH 3 NH + N O _ O O Cl H 3 C IC50 = 63.0 nM 544.97 COc1ccc(S(=O)(=O)NC(=O)c2cc3c(Nc4ccc(Cl)c(OC)c4)ccc([N+](=O)[O-])c3n2C)cc1 Homo sapiens CHEMBL4729629 assay format
CHEMBL3218223 OBDepict H 3 C O O O N NH 2 O P O HO OH IC50 = 67.0 nM 288.15 COC(=O)c1oc(N)nc1-c1ccc(P(=O)(O)O)o1 Homo sapiens CHEMBL3225162 assay format
CHEMBL455930 OBDepict O HN N H S O O H 3 C N H HN O S O O H 3 C IC50 = 68.0 nM 508.62 Cc1cccc(S(=O)(=O)NC(=O)NCC/C=C/CCNC(=O)NS(=O)(=O)c2cccc(C)c2)c1 Homo sapiens CHEMBL974537 assay format
CHEMBL578134 OBDepict NH 2 N S O P O OH OH IC50 = 70.0 nM 284.23 Nc1nc2c(s1)Cc1cccc(OP(=O)(O)O)c1-2 Homo sapiens CHEMBL1039077 assay format
CHEMBL590597 OBDepict CH 3 O CH 3 S CH 3 S NH O O NH O N S Br IC50 = 70.0 nM 502.44 COc1ccc(-c2sc(S(=O)(=O)NC(=O)Nc3ncc(Br)s3)cc2C)c(C)c1 Homo sapiens CHEMBL1074684 assay format
CHEMBL571872 OBDepict Cl N F N H 2 N CH 3 CH 3 O P O HO OH IC50 = 70.0 nM 443.84 CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(CCCCCl)c21 Homo sapiens CHEMBL1037322 assay format
CHEMBL590113 OBDepict CH 3 O N CH 3 S NH O O NH O N S Br IC50 = 70.0 nM 445.32 COc1cccc2c(S(=O)(=O)NC(=O)Nc3ncc(Br)s3)cn(C)c12 Homo sapiens CHEMBL1074684 assay format