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Q9NUW8 | TYDP1_HUMAN | Tyrosyl-DNA phosphodiesterase 1 (TDP1)

3D structures mapped by conservation among orthologs

[ Domain: "Phospholipase D/nuclease" // Tyr-DNA_phospho_2nd ]

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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
CHEMBL65 OBDepict CH 3 HO O O N O N IC50 = 0.0 nM 348.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 Homo sapiens CHEMBL4040006 single protein format
CHEMBL4746230 OBDepict H 3 C CH 3 H 3 C S N OH O CH 3 HO H 3 C O HO O H 3 C IC50 = 10.3 nM 507.61 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(/C=C(C)CCC=C(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL4760174 OBDepict H 3 C CH 3 H 3 C S N OH O CH 3 HO H 3 C O HO O H 3 C IC50 = 16.4 nM 509.62 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(CC(C)CCC=C(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL275938 OBDepict OH O O OH HO O OH O HO IC50 = 22.0 nM 422.35 O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O Homo sapiens CHEMBL4431140 assay format
CHEMBL4244758 OBDepict CH 3 O HO O CH 3 O OH CH 3 O O HO CH 3 H 3 C CH 3 CH 3 CH 3 H 3 C IC50 = 25.0 nM 558.63 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4438274 OBDepict Br N N H S N HO O H 3 C OH CH 3 O OH O CH 3 IC50 = 26.0 nM 582.43 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc(Br)cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4799682 OBDepict CH 3 O OH O H 3 C O HO H 3 C N HO S N H N H CH 2 CH 3 IC50 = 27.0 nM 547.63 C=C(C)[C@H]1CC=C(/C=NNc2nc(-c3c(O)c(C)c(O)c4c3OC3=CC(O)=C(C(C)=O)C(=O)[C@@]34C)cs2)CC1 Homo sapiens CHEMBL4669662 assay format
CHEMBL4756604 OBDepict H 3 C O HO O CH 3 O OH CH 3 N OH S HN N CH 3 H CH 3 CH 3 IC50 = 31.0 nM 549.65 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C5/C[C@H]6CC[C@]5(C)C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL4440514 OBDepict CH 3 O HO O H 3 C O HO CH 3 N OH S N H N + N O _ O IC50 = 35.0 nM 548.53 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc([N+](=O)[O-])cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4761724 OBDepict CH 3 O OH O H 3 C O HO H 3 C N HO S NH N H H CH 3 CH 3 IC50 = 45.0 nM 547.63 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=CC5=C[C@@H]6C[C@H](C5)C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL4750455 OBDepict CH 3 H N CH 3 CH 3 N H H S N HO O H 3 C HO H 3 C O OH O CH 3 IC50 = 46.0 nM 547.63 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(NN=C5C=C(C)[C@H]6C[C@@H]5C6(C)C)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL4241424 OBDepict Br S O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 63.0 nM 515.34 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccc(Br)s1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4250901 OBDepict CH 3 O HO O CH 3 O OH CH 3 O O HO CH 3 H 3 C CH 3 CH 3 CH 3 H 3 C IC50 = 64.0 nM 558.63 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@]2(C)C1=O)O/C(=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4440114 OBDepict Cl N N H S N HO O H 3 C OH CH 3 O OH O CH 3 IC50 = 68.0 nM 537.98 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc(Cl)cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4242066 OBDepict Br S O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 81.0 nM 515.34 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@]2(C)C1=O)O/C(=Cc1ccc(Br)s1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4587610 OBDepict H 3 C O HO O CH 3 O OH CH 3 N OH S HN N + N O _ O IC50 = 86.0 nM 548.53 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5cccc([N+](=O)[O-])c5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4745693 OBDepict H 3 C S N HO O CH 3 OH CH 3 O OH O H 3 C IC50 = 88.0 nM 469.56 CCCCCCc1nc(-c2c(O)c(C)c(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@@]23C)cs1 Homo sapiens CHEMBL4669662 assay format
CHEMBL4642359 OBDepict O O O O O Cl Cl IC50 = 99.0 nM 465.29 O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3c(Cl)cccc3Cl)cc2o1 Homo sapiens CHEMBL4614262 single protein format
CHEMBL4435210 OBDepict O N H NH H 3 C H CH 3 CH 3 CH 3 IC50 = 100.0 nM 462.72 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)NC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL4415210 single protein format
CHEMBL212406 OBDepict HO O Cl N CH 3 H 3 C IC50 = 110.0 nM 249.7 Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O)c1 Homo sapiens CHEMBL4329001 single protein format
CHEMBL4797909 OBDepict H 3 C S N OH H 3 C H 3 C OH O CH 3 OH CH 3 O HO O H 3 C IC50 = 139.0 nM 527.64 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(CC(C)CCCC(C)(C)O)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4669662 assay format
CHEMBL4475772 OBDepict F N N H S N HO O H 3 C OH CH 3 O OH O CH 3 IC50 = 150.0 nM 521.53 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc(F)cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL3356739 OBDepict Br O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 150.0 nM 509.31 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccc(Br)cc1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4446104 OBDepict H 3 C O N N H S N HO O CH 3 OH CH 3 O OH O CH 3 IC50 = 158.0 nM 533.56 COc1ccc(/C=N/Nc2nc(-c3c(O)c(C)c(O)c4c3OC3=CC(O)=C(C(C)=O)C(=O)[C@@]34C)cs2)cc1 Homo sapiens CHEMBL4329005 assay format
CHEMBL4084310 OBDepict H 3 C NH O O H 3 C O HO H 3 C HO O H 3 C OH CH 3 H 3 C CH 3 CH 3 CH 3 H 3 C IC50 = 160.0 nM 589.73 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)C12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4243917 OBDepict H 3 C O O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 160.0 nM 434.4 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccc(C)o1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4551119 OBDepict CH 3 O HO O CH 3 O OH CH 3 N OH S N H N IC50 = 172.0 nM 503.54 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccccc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4090202 OBDepict H 3 C NH O O H 3 C O HO H 3 C HO O H 3 C OH CH 3 CH 3 CH 3 H 3 C CH 3 H 3 C IC50 = 190.0 nM 575.7 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)C12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4436400 OBDepict H 3 C O HO N N H S N HO O CH 3 OH CH 3 O OH O CH 3 IC50 = 192.0 nM 549.56 COc1cc(/C=N/Nc2nc(-c3c(O)c(C)c(O)c4c3OC3=CC(O)=C(C(C)=O)C(=O)[C@@]34C)cs2)ccc1O Homo sapiens CHEMBL4329005 assay format
CHEMBL3401896 OBDepict H 3 C N NH O CH 3 S S S F F F S S IC50 = 220.0 nM 488.71 CCCCN(CCCC)CC(=O)Nc1cc(C(F)(F)F)cc2c1SSSSS2 Homo sapiens CHEMBL3404210 single protein format
CHEMBL4250945 OBDepict H 3 C O OH O CH 3 O OH H 3 C O O Br IC50 = 230.0 nM 509.31 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccccc1Br)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4249351 OBDepict Br O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 232.0 nM 509.31 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cccc(Br)c1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL2207624 OBDepict Br N H CH 3 O O CH 3 O OH CH 3 OH O H 3 C IC50 = 260.0 nM 498.33 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Br)cc3)C(=O)[C@@]12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4643271 OBDepict O O O O O IC50 = 270.0 nM 446.46 O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc4ccccc34)cc2o1 Homo sapiens CHEMBL4614262 single protein format
CHEMBL4643649 OBDepict O O O O O Cl IC50 = 280.0 nM 430.84 O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3Cl)cc2o1 Homo sapiens CHEMBL4614262 single protein format
CHEMBL4447343 OBDepict O NH N H H 3 C H Cl CH 3 CH 3 H 3 C IC50 = 280.0 nM 439.04 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)Nc1ccc(Cl)cc1 Homo sapiens CHEMBL4415210 single protein format
CHEMBL4242317 OBDepict CH 3 O O O CH 3 O HO H 3 C O OH O H 3 C IC50 = 340.0 nM 460.44 COc1ccc(/C=C2Oc3c(C)c(O)c4c(c3C2=O)OC2=CC(O)=C(C(C)=O)C(=O)[C@@]24C)cc1 Homo sapiens CHEMBL4235162 single protein format
CHEMBL4251391 OBDepict H 3 C O O H 3 C O O H 3 C O CH 3 O OH CH 3 O OH O CH 3 IC50 = 340.0 nM 520.49 COc1ccc(/C=C2Oc3c(C)c(O)c4c(c3C2=O)OC2=CC(O)=C(C(C)=O)C(=O)[C@@]24C)c(OC)c1OC Homo sapiens CHEMBL4235162 single protein format
CHEMBL4648584 OBDepict H 3 C O O O O O CH 3 O Cl IC50 = 360.0 nM 474.9 COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCc5ccc(Cl)cc5)ccc34)c(=O)oc12 Homo sapiens CHEMBL4614262 single protein format
CHEMBL1256623 OBDepict O N N CH 3 HO OH IC50 = 360.0 nM 168.15 CN(N=O)c1ccc(O)c(O)c1 Homo sapiens CHEMBL4329002 single protein format
CHEMBL3356738 OBDepict CH 3 O O O CH 3 O HO H 3 C O OH O H 3 C IC50 = 390.0 nM 460.44 COc1ccccc1/C=C1Oc2c(C)c(O)c3c(c2C1=O)OC1=CC(O)=C(C(C)=O)C(=O)[C@@]13C Homo sapiens CHEMBL4235162 single protein format
CHEMBL3356741 OBDepict H 3 C O OH O CH 3 O OH H 3 C O O N IC50 = 450.0 nM 431.4 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cccnc1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4533174 OBDepict HO N N H S N HO O H 3 C OH CH 3 O OH O CH 3 IC50 = 457.0 nM 519.54 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(N/N=C/c5ccc(O)cc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4460313 OBDepict O HN N H CH 3 H CH 3 CH 3 CH 3 IC50 = 500.0 nM 410.65 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)NC1CCCCC1 Homo sapiens CHEMBL4415210 single protein format
CHEMBL3771079 OBDepict O N H S NH 2 N F F F IC50 = 500.0 nM 419.47 Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)CCCCCC3 Homo sapiens CHEMBL3773971 cell-based format
CHEMBL4240521 OBDepict Br Br O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 530.0 nM 588.2 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cc(Br)cc(Br)c1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL2207625 OBDepict Br N H CH 3 O O CH 3 O OH CH 3 OH O H 3 C IC50 = 570.0 nM 498.33 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(Br)cc3)C(=O)[C@]12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4577295 OBDepict CH 2 NH N H S CH 3 H CH 3 H 3 C CH 3 IC50 = 570.0 nM 384.63 C=CCNC(=S)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 Homo sapiens CHEMBL4415210 single protein format
CHEMBL4240984 OBDepict Br S O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 600.0 nM 515.34 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cc(Br)cs1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4455616 OBDepict CH 3 O HO O CH 3 O OH CH 3 N OH S N H IC50 = 610.0 nM 476.51 CC(=O)C1=C(O)C=C2Oc3c(-c4csc(Nc5ccccc5)n4)c(O)c(C)c(O)c3[C@@]2(C)C1=O Homo sapiens CHEMBL4329005 assay format
CHEMBL4237246 OBDepict CH 3 O HO O CH 3 O OH CH 3 O O S H 3 C IC50 = 630.0 nM 450.47 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1sccc1C)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL3909527 OBDepict O O O H CH 3 H 3 C H IC50 = 675.0 nM 336.43 CC1(C)[C@@H]2CC=C(COc3ccc4c5c(c(=O)oc4c3)CCC5)[C@H]1C2 Homo sapiens CHEMBL3861405 single protein format
CHEMBL4537015 OBDepict S NH N H O O O IC50 = 710.0 nM 222.22 O=C1NC(=S)NC(=O)C1=Cc1ccco1 Homo sapiens CHEMBL4431147 assay format
CHEMBL4560013 OBDepict S HN N H CH 3 H CH 3 CH 3 CH 3 IC50 = 710.0 nM 420.67 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)Nc1ccccc1 Homo sapiens CHEMBL4415210 single protein format
CHEMBL4237606 OBDepict H 3 C O OH O CH 3 O OH H 3 C O O IC50 = 720.0 nM 430.41 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccccc1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4069136 OBDepict Br N H CH 3 O O CH 3 O OH CH 3 OH O H 3 C IC50 = 750.0 nM 498.33 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3cccc(Br)c3)C(=O)C12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4102274 OBDepict HO N H CH 3 O O CH 3 O OH CH 3 OH O H 3 C IC50 = 790.0 nM 463.49 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCc3ccc(O)cc3)C(=O)[C@@]12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL3356740 OBDepict H 3 C O OH O CH 3 O OH H 3 C O O N IC50 = 810.0 nM 431.4 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccncc1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4237693 OBDepict H 3 C S O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 840.0 nM 450.47 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccc(C)s1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL4637317 OBDepict O N H O O CH 3 O HO CH 3 O Cl F IC50 = 850.0 nM 547.97 Cc1c(CC(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 Homo sapiens CHEMBL4614262 single protein format
CHEMBL4238219 OBDepict H 3 C O OH O CH 3 O OH H 3 C O O N IC50 = 860.0 nM 431.4 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccccn1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL2170127 OBDepict HO OH OH S HN S O IC50 = 870.0 nM 269.3 O=C1NC(=S)/C(=C/c2ccc(O)c(O)c2O)S1 Homo sapiens CHEMBL2174994 single protein format
CHEMBL4247712 OBDepict CH 3 O HO O CH 3 O OH CH 3 O O S IC50 = 900.0 nM 436.44 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1cccs1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL2207621 OBDepict F N H CH 3 O O CH 3 O OH CH 3 OH O H 3 C IC50 = 940.0 nM 437.42 CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)Nc3ccc(F)cc3)C(=O)[C@]12C Homo sapiens CHEMBL3998383 single protein format
CHEMBL4440022 OBDepict O HN N H CH 3 H CH 3 CH 3 CH 3 IC50 = 950.0 nM 404.6 CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)Nc1ccccc1 Homo sapiens CHEMBL4415210 single protein format
CHEMBL4636462 OBDepict O HN N N H N O H O IC50 = 980.0 nM 474.52 O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 Homo sapiens CHEMBL4614262 single protein format
CHEMBL4241774 OBDepict F O O CH 3 O OH CH 3 O OH O CH 3 IC50 = 980.0 nM 448.4 CC(=O)C1=C(O)C=C2Oc3c4c(c(C)c(O)c3[C@@]2(C)C1=O)O/C(=Cc1ccc(F)cc1)C4=O Homo sapiens CHEMBL4235162 single protein format
CHEMBL387152 OBDepict O CH 3 H H H CH 3 H O O S O O Br IC50 = 1000.0 nM 549.53 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL2319019 single protein format
CHEMBL3261818 OBDepict H 3 C O O O N O N N O O O IC50 = 1000.0 nM 575.66 COc1cc2c(=O)n(CCCN3CCOCC3)c3c(c2cc1OCCCN1CCCC1)C(=O)c1cc2c(cc1-3)OCO2 Homo sapiens CHEMBL3267292 single protein format
CHEMBL218884 OBDepict NH 2 N O O O CH 3 + N O _ O IC50 = 1000.0 nM 379.37 COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN)C2=O Homo sapiens CHEMBL3423834 single protein format
CHEMBL375623 OBDepict NH 2 N O O + N O O _ O CH 3 IC50 = 1000.0 nM 379.37 COc1ccc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 Homo sapiens CHEMBL3423834 single protein format
CHEMBL3422398 OBDepict NH 2 N O O OH + N O _ O BrH IC50 = 1000.0 nM 446.26 Br.NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccc(O)cc1-2 Homo sapiens CHEMBL3423834 single protein format
CHEMBL3590600 OBDepict CH 3 O OH O H HO H O H OH H H OH O H HO O HO OH HO IC50 = 1000.0 nM 512.46 COc1cc(C[C@@H](CO)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O Homo sapiens CHEMBL3591163 single protein format
CHEMBL4061238 OBDepict CH 3 O N O N O N + N O _ O NH 2 IC50 = 1000.0 nM 463.49 COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc([N+](=O)[O-])ccc12 Homo sapiens CHEMBL4011566 single protein format
CHEMBL3590599 OBDepict CH 3 O O CH 3 O H O H OH H H OH O H HO O HO OH OH IC50 = 1000.0 nM 468.41 COc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1OC Homo sapiens CHEMBL3591163 single protein format
CHEMBL24057 OBDepict NH 2 NH O HN H 2 N IC50 = 1000.0 nM 304.35 N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL4329003 assay format
CHEMBL4081000 OBDepict CH 3 O N O N O N + N O _ O IC50 = 1000.0 nM 434.45 COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCCC2)c(=O)c2cc([N+](=O)[O-])ccc12 Homo sapiens CHEMBL4011566 single protein format
CHEMBL4069903 OBDepict CH 3 NH N O N O + N O O _ O CH 3 IC50 = 1000.0 nM 394.39 CNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(OC)cnc1-2 Homo sapiens CHEMBL4011566 single protein format
CHEMBL4097105 OBDepict CH 3 O N O N O N H + N O _ O S N IC50 = 1000.0 nM 465.49 COc1cnc2c(c1)C(=O)c1c-2n(CCCNC2=NCCS2)c(=O)c2cc([N+](=O)[O-])ccc12 Homo sapiens CHEMBL4011566 single protein format
CHEMBL4099532 OBDepict CH 3 NH N O N O + N O O _ O H 3 C IC50 = 1000.0 nM 408.41 CCNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(OC)cnc1-2 Homo sapiens CHEMBL4011566 single protein format
CHEMBL4077630 OBDepict HO O O H H H H O OH HO O HO IC50 = 1000.0 nM 460.44 O=c1cc(O)cc([C@H]2[C@H](c3ccc(O)cc3)[C@H](c3cc(O)cc(=O)o3)[C@H]2c2ccc(O)cc2)o1 Homo sapiens CHEMBL4058593 single protein format
CHEMBL3769818 OBDepict Cl N H O S NH 2 N IC50 = 1000.0 nM 385.92 Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CCCCCC3 Homo sapiens CHEMBL3773971 cell-based format