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P15121 | ALDR_HUMAN | Aldo-keto reductase family 1 member B1 (AKR1B1)

3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // Aldo_ket_red ]

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[ Domain: "TIM barrels" // Aldo_ket_red,RNAse_Pc_like ]

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[ 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
CHEMBL2260162 OBDepict HO O N O S O + N O _ O IC50 = 0.13 nM 308.27 O=C(O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260155 OBDepict O N H S O HO IC50 = 0.15 nM 221.24 O=C1NC(=O)/C(=Cc2cccc(O)c2)S1 Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260152 OBDepict CH 3 O O N O S O O IC50 = 0.26 nM 369.4 COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL1645384 OBDepict O S HN O O IC50 = 0.28 nM 297.34 O=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1 Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260158 OBDepict OH O N O S O HO IC50 = 0.49 nM 279.27 O=C(O)CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260153 OBDepict OH O N O S O IC50 = 0.66 nM 339.37 O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260163 OBDepict OH O N O S O + N O _ O IC50 = 0.82 nM 308.27 O=C(O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL240725 OBDepict Cl O CH 3 S O O N N H O IC50 = 0.84 nM 324.75 Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12 Homo sapiens CHEMBL821471 single protein format
CHEMBL20207 OBDepict OH O N N O S N Cl IC50 = 1.0 nM 385.83 O=C(O)Cc1nn(Cc2nc3cccc(Cl)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL2260159 OBDepict HO O N O S O HO IC50 = 1.19 nM 305.31 O=C(O)/C=C/CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260161 OBDepict CH 3 O O N O S O H 2 N IC50 = 1.32 nM 292.32 COC(=O)CN1C(=O)S/C(=C/c2cccc(N)c2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL20024 OBDepict HO O N N O N S F IC50 = 2.0 nM 369.38 O=C(O)Cc1nn(Cc2nc3c(F)cccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL69956 OBDepict OH O N N N O N S F F F IC50 = 2.1 nM 420.37 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ncccc12 Homo sapiens CHEMBL643096 assay format
CHEMBL198096 OBDepict F O CH 3 S O O N N OH IC50 = 3.0 nM 308.29 Cc1c(S(=O)(=O)c2ccc(O)nn2)oc2ccc(F)cc12 Homo sapiens CHEMBL880577 single protein format
CHEMBL20169 OBDepict HO O N N O S N Br IC50 = 3.1 nM 430.28 O=C(O)Cc1nn(Cc2nc3cc(Br)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL143234 OBDepict OH O N N O N O F F IC50 = 3.2 nM 371.3 O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL71966 OBDepict OH O N N CH 3 CH 3 O O N N F F IC50 = 3.3 nM 376.32 Cc1c(CC(=O)O)nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c1C Homo sapiens CHEMBL643096 assay format
CHEMBL20015 OBDepict HO O N N O N S Cl IC50 = 3.5 nM 385.83 O=C(O)Cc1nn(Cc2nc3c(Cl)cccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL278991 OBDepict OH O N N O N S Cl Cl IC50 = 4.0 nM 420.28 O=C(O)Cc1nn(Cc2nc3cc(Cl)cc(Cl)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL304995 OBDepict HO O N N O N S F F IC50 = 4.0 nM 391.4 O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2c1CCCC2 Homo sapiens CHEMBL643096 assay format
CHEMBL2260156 OBDepict HO O N O S O OH IC50 = 4.17 nM 279.27 O=C(O)CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL73505 OBDepict OH O N N Cl S N F IC50 = 4.6 nM 375.81 O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c2ccc(Cl)cc12 Homo sapiens CHEMBL643096 assay format
CHEMBL10372 OBDepict OH O N N O N S F F F IC50 = 4.8 nM 419.38 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL643096 assay format
CHEMBL282689 OBDepict OH O N N O N S F F IC50 = 5.0 nM 387.37 O=C(O)Cc1nn(Cc2nc3c(F)ccc(F)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL190931 OBDepict H 3 C O N O HO S N F F F IC50 = 5.0 nM 406.39 COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2c1 Homo sapiens CHEMBL832655 assay format
CHEMBL370123 OBDepict OH N N S O O O CH 3 F F F IC50 = 5.0 nM 358.3 Cc1c(S(=O)(=O)c2ccc(O)nn2)oc2ccc(C(F)(F)F)cc12 Homo sapiens CHEMBL880577 single protein format
CHEMBL73560 OBDepict OH O N N CH 3 CH 3 O N S F F IC50 = 5.0 nM 365.36 Cc1c(CC(=O)O)nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c1C Homo sapiens CHEMBL643096 assay format
CHEMBL20518 OBDepict OH O N N O N S F Cl IC50 = 5.0 nM 403.82 O=C(O)Cc1nn(Cc2nc3cc(Cl)cc(F)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL363387 OBDepict OH O N S N F F F IC50 = 5.0 nM 376.36 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL68580 OBDepict OH O N N O N S F F F IC50 = 5.2 nM 423.42 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2c1CCCC2 Homo sapiens CHEMBL643096 assay format
CHEMBL20161 OBDepict OH O N N O N S H 3 C CH 3 IC50 = 5.9 nM 379.44 Cc1cc(C)c2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1 Homo sapiens CHEMBL641353 assay format
CHEMBL192886 OBDepict OH O N H 3 C S N F F F IC50 = 6.0 nM 390.39 Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c12 Homo sapiens CHEMBL832655 assay format
CHEMBL241577 OBDepict OH O O Cl N H O + N O _ O IC50 = 6.0 nM 364.74 O=C(O)COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL924228 single protein format
CHEMBL440567 OBDepict H 3 C O S O O N N OH Cl IC50 = 6.0 nM 338.77 CCc1c(S(=O)(=O)c2ccc(O)nn2)oc2ccc(Cl)cc12 Homo sapiens CHEMBL880577 single protein format
CHEMBL2260160 OBDepict O HN S O NH 2 IC50 = 6.14 nM 220.25 Nc1cccc(/C=C2/SC(=O)NC2=O)c1 Homo sapiens CHEMBL3056339 single protein format
CHEMBL2260154 OBDepict OH O N O S O IC50 = 6.18 nM 313.33 O=C(O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O Homo sapiens CHEMBL3056339 single protein format
CHEMBL4459307 OBDepict HO O N S S O O Ki = 6.2 nM 399.49 O=C(O)CN1C(=O)/C(=C/c2cccc(OCCc3ccccc3)c2)SC1=S Homo sapiens CHEMBL4326720 assay format
CHEMBL416001 OBDepict OH O N N O N S Cl F IC50 = 6.2 nM 403.82 O=C(O)Cc1nn(Cc2nc3cc(F)cc(Cl)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL20637 OBDepict OH O N N O N S F F IC50 = 6.3 nM 387.37 O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL422647 OBDepict OH O N N O O N N CH 3 IC50 = 6.4 nM 376.37 Cc1ccccc1-c1noc(Cn2nc(CC(=O)O)c3ccccc3c2=O)n1 Homo sapiens CHEMBL641358 assay format
CHEMBL341864 OBDepict OH O N N O O N N Br IC50 = 6.5 nM 441.24 O=C(O)Cc1nn(Cc2nc(-c3ccccc3Br)no2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL2440411 OBDepict CH 3 O N O NH O OH CH 3 H 3 C IC50 = 6.7 nM 352.39 COc1ccc(/N=c2oc3cc(O)ccc3cc2C(=O)NC(C)C)cc1 Homo sapiens CHEMBL2444356 assay format
CHEMBL283996 OBDepict HO O N N O S N F IC50 = 6.9 nM 369.38 O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL241367 OBDepict N F NH O O O OH + N O _ O IC50 = 7.0 nM 373.3 N#Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(OCC(=O)O)cc1F Homo sapiens CHEMBL924228 single protein format
CHEMBL192167 OBDepict OH O N F N S F F F IC50 = 7.0 nM 394.35 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(F)c21 Homo sapiens CHEMBL832655 assay format
CHEMBL371991 OBDepict F N O HO S N F F F IC50 = 7.0 nM 394.35 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc21 Homo sapiens CHEMBL832655 assay format
CHEMBL20197 OBDepict HO O N N O S N Cl IC50 = 7.1 nM 385.83 O=C(O)Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL193155 OBDepict OH O N S N F F F IC50 = 8.0 nM 390.39 O=C(O)Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL371162 OBDepict Cl N O HO S N F F F IC50 = 8.0 nM 410.8 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc21 Homo sapiens CHEMBL832655 assay format
CHEMBL364235 OBDepict OH O N CH 3 S N F F F IC50 = 8.0 nM 390.39 Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(=O)O Homo sapiens CHEMBL832655 assay format
CHEMBL192255 OBDepict CH 3 O N S N O OH F F F IC50 = 8.0 nM 406.38 COc1ccc2c(c1)c(Cc1nc3c(F)c(F)cc(F)c3s1)cn2CC(=O)O Homo sapiens CHEMBL832655 assay format
CHEMBL191508 OBDepict CH 3 N S N O OH F F F IC50 = 8.0 nM 390.39 Cc1ccc2c(c1)c(Cc1nc3c(F)c(F)cc(F)c3s1)cn2CC(=O)O Homo sapiens CHEMBL832655 assay format
CHEMBL370478 OBDepict OH O N S N N F F O F IC50 = 8.0 nM 461.47 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(N3CCOCC3)ccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL1348329 OBDepict O N H S O IC50 = 8.96 nM 255.3 O=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 Homo sapiens CHEMBL3056339 single protein format
CHEMBL193569 OBDepict F N S N O OH IC50 = 9.0 nM 340.38 O=C(O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL189801 OBDepict HO O N Cl S N F F F IC50 = 9.0 nM 410.8 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c21 Homo sapiens CHEMBL832655 assay format
CHEMBL84446 OBDepict O N H N H O H O O NH 2 F IC50 = 9.0 nM 279.23 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 Homo sapiens CHEMBL643110 single protein format
CHEMBL422476 OBDepict OH O N N O O N N F IC50 < 10.0 nM 380.33 O=C(O)Cc1nn(Cc2nc(-c3ccccc3F)no2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL19289 OBDepict OH O N N O S N N IC50 = 10.0 nM 352.38 O=C(O)Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL19958 OBDepict HO O N N O Cl N S Cl IC50 = 10.0 nM 420.28 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)c(Cl)cc12 Homo sapiens CHEMBL641353 assay format
CHEMBL173813 OBDepict OH O HO IC50 = 10.0 nM 90.08 O=CC(O)CO Homo sapiens CHEMBL921559 single protein format
CHEMBL66920 OBDepict HO O N N O N S F F IC50 < 10.0 nM 337.31 O=C(O)Cc1ccc(=O)n(Cc2nc3cc(F)cc(F)c3s2)n1 Homo sapiens CHEMBL643096 assay format
CHEMBL192263 OBDepict Cl N S N O HO F F F IC50 = 10.0 nM 410.8 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL192927 OBDepict CH 3 N O HO S N F F F IC50 = 10.0 nM 390.39 Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2c1 Homo sapiens CHEMBL832655 assay format
CHEMBL20220 OBDepict HO O N N O S N F F F IC50 = 10.0 nM 419.38 O=C(O)Cc1nn(Cc2nc3cccc(C(F)(F)F)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL422927 OBDepict HO O N N O S N F F IC50 = 10.0 nM 387.37 O=C(O)Cc1nn(Cc2nc3c(F)c(F)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL56337 OBDepict CH 3 S O N S O OH IC50 = 10.0 nM 319.41 CC(/C=C1SC(=S)N(CC(=O)O)C1=O)=Cc1ccccc1 Homo sapiens CHEMBL645594 single protein format
CHEMBL69591 OBDepict HO O N N N O S N F IC50 < 10.0 nM 370.37 O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12 Homo sapiens CHEMBL643096 assay format
CHEMBL399598 OBDepict OH O O F N H O S N F F F IC50 = 11.0 nM 414.34 O=C(O)COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1 Homo sapiens CHEMBL924228 single protein format
CHEMBL193254 OBDepict F N S N O HO F F F IC50 = 11.0 nM 394.35 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL193277 OBDepict OH O N Cl S N F F F IC50 = 11.0 nM 410.8 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL1172665 OBDepict CH 3 O N O N H O OH N IC50 = 11.0 nM 387.4 COc1ccc(/N=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 Homo sapiens CHEMBL1174254 assay format
CHEMBL2440426 OBDepict OH O N N H O N I IC50 = 12.0 nM 483.27 O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=Nc1ccc(I)cc1 Homo sapiens CHEMBL2444356 assay format
CHEMBL192399 OBDepict OH O N S N O F F F IC50 = 12.0 nM 482.48 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL416370 OBDepict Br N O N O OH N S IC50 = 12.0 nM 430.28 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12 Homo sapiens CHEMBL641353 assay format
CHEMBL20693 OBDepict OH O N N O N S F F F IC50 = 12.0 nM 419.38 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(C(F)(F)F)ccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL273910 OBDepict O NH O O N O F F Br IC50 = 12.2 nM 449.21 O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 Homo sapiens CHEMBL645284 single protein format
CHEMBL192434 OBDepict Br N S N O HO F F F IC50 = 13.0 nM 455.25 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL143633 OBDepict OH O N N O N H O Cl IC50 = 13.0 nM 371.78 O=C(O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL198148 OBDepict H 3 C O CH 3 S O O N N OH IC50 = 13.0 nM 304.33 Cc1ccc2oc(S(=O)(=O)c3ccc(O)nn3)c(C)c2c1 Homo sapiens CHEMBL880577 single protein format
CHEMBL193030 OBDepict HO O N Br S N F F F IC50 = 14.0 nM 455.25 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Br)c21 Homo sapiens CHEMBL832655 assay format
CHEMBL50 OBDepict OH OH O O HO HO HO IC50 = 14.8 nM 302.24 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL984565 single protein format
CHEMBL20796 OBDepict OH O N N O N S Cl IC50 = 15.0 nM 385.83 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Cl)ccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL334830 OBDepict O N H O N O N O F Br IC50 = 15.0 nM 420.19 O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12 Homo sapiens CHEMBL924228 single protein format
CHEMBL21038 OBDepict OH O N N O S N Br IC50 = 15.0 nM 430.28 O=C(O)Cc1nn(Cc2nc3cccc(Br)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL4089816 OBDepict CH 3 O N O NH O OH HO IC50 = 15.0 nM 444.49 COc1ccc(/N=c2oc3cc(O)ccc3cc2C(=O)NCCCc2cccc(O)c2)cc1 Homo sapiens CHEMBL4020428 single protein format
CHEMBL192762 OBDepict HO O N N S N O F F F IC50 = 15.0 nM 461.47 O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(N3CCOCC3)cc21 Homo sapiens CHEMBL832655 assay format
CHEMBL4448571 OBDepict OH O N O S O O Ki = 16.0 nM 383.43 O=C(O)CN1C(=O)S/C(=Cc2cccc(OCCc3ccccc3)c2)C1=O Homo sapiens CHEMBL4326720 assay format
CHEMBL69350 OBDepict OH O N N CH 3 CH 3 O N S F F F IC50 = 16.0 nM 397.38 Cc1c(CC(=O)O)nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c1C Homo sapiens CHEMBL643096 assay format
CHEMBL19701 OBDepict HO O N N O N S F F F F IC50 = 17.0 nM 437.37 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)cc(F)c3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL641353 assay format
CHEMBL193839 OBDepict HO O N S N F F F IC50 = 17.0 nM 390.39 O=C(O)CCn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21 Homo sapiens CHEMBL832655 assay format
CHEMBL283787 OBDepict OH O N N O N S F F F IC50 = 18.0 nM 419.38 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(C(F)(F)F)cc12 Homo sapiens CHEMBL641353 assay format
CHEMBL303210 OBDepict HO O N N H 3 C O S N F F F IC50 = 18.0 nM 383.35 Cc1cc(=O)n(Cc2nc3cc(C(F)(F)F)ccc3s2)nc1CC(=O)O Homo sapiens CHEMBL643096 assay format
CHEMBL10372 OBDepict OH O N N O N S F F F Ki = 19.0 nM 419.38 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL765524 assay format
CHEMBL143098 OBDepict OH O N N O O N N F F IC50 = 19.0 nM 398.32 O=C(O)Cc1nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL344057 OBDepict O NH N N O F F F O OH IC50 = 19.0 nM 405.33 O=C(O)Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 Homo sapiens CHEMBL641358 assay format
CHEMBL21091 OBDepict OH O N N O N S IC50 = 19.0 nM 351.39 O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccccc12 Homo sapiens CHEMBL643096 assay format
CHEMBL2440423 OBDepict OH O N N H O N O OH IC50 = 19.0 nM 401.38 O=C(O)c1ccc(/N=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 Homo sapiens CHEMBL2444356 assay format
CHEMBL62685 OBDepict O N H O O N O F Br IC50 = 19.4 nM 431.22 O=C1CC2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccccc12 Homo sapiens CHEMBL645284 single protein format
CHEMBL2440415 OBDepict OH N H O N O OH O CH 3 IC50 = 20.0 nM 354.36 COc1ccc(/N=c2oc3cc(O)ccc3cc2C(=O)NCCO)cc1 Homo sapiens CHEMBL2444356 assay format