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P16083 | NQO2_HUMAN | Ribosyldihydronicotinamide dehydrogenase [quinone] (NQO2)

3D structures mapped by conservation among orthologs

[ Domain: "Flavoproteins" // FMN_red ]

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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
CHEMBL300056 OBDepict CH 3 O N H 3 C I N H O H 3 C Ki = 0.088 nM 372.21 COc1ccc2c(c1)c(CCNC(C)=O)c(I)n2C Homo sapiens CHEMBL713109 assay format
CHEMBL300728 OBDepict CH 3 O + N O _ O N H 3 C I N H O H 3 C Ki = 0.13 nM 417.2 COc1ccc2c(c(CCNC(C)=O)c(I)n2C)c1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL52559 OBDepict CH 3 O + N O _ O N H I HN O H 3 C Ki = 0.18 nM 403.18 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL53622 OBDepict CH 3 O + N O _ O N H 3 C N H O H 3 C Ki = 0.31 nM 291.31 COc1ccc2c(c(CCNC(C)=O)cn2C)c1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL1770214 OBDepict CH 3 O N H O N H O H 3 C IC50 = 0.39 nM 286.33 COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL300195 OBDepict CH 3 O + N O _ O N H HN O H 3 C Ki = 1.1 nM 277.28 COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL33700 OBDepict CH 3 O N H 3 C N H O H 3 C Ki = 2.8 nM 246.31 COc1ccc2c(c1)c(CCNC(C)=O)cn2C Homo sapiens CHEMBL713109 assay format
CHEMBL1945729 OBDepict H 3 C NH Cl N NH 2 N CH 3 O H 2 N O IC50 = 4.1 nM 305.73 CNc1c(Cl)c(N)c2c3c(cc(C(N)=O)nc13)C(=O)N2C Homo sapiens CHEMBL1948139 single protein format
CHEMBL1738752 OBDepict H 3 C NH S O O N H O CH 3 IC50 = 4.9 nM 306.39 CNS(=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL8602 OBDepict CH 3 N CH 3 HN N O N OH O O CH 3 H 3 C IC50 = 6.0 nM 410.47 CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL55084 OBDepict CH 3 O + N O _ O N H 3 C I N H O H 3 C Ki = 6.1 nM 417.2 COc1cc2c(CCNC(C)=O)c(I)n(C)c2cc1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL289233 OBDepict CH 3 O N H I HN O H 3 C Ki = 6.5 nM 358.18 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Homo sapiens CHEMBL713109 assay format
CHEMBL2 OBDepict CH 3 O O N CH 3 N N H 2 N N O O IC50 = 7.8 nM 383.41 COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC Homo sapiens CHEMBL1772367 single protein format
CHEMBL124254 OBDepict CH 3 N CH 3 HN O N N H 3 C O CH 3 IC50 = 9.0 nM 378.48 CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL134447 OBDepict CH 3 O HN O F F F Ki = 9.09 nM 285.26 COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=CC2 Homo sapiens CHEMBL714719 assay format
CHEMBL457992 OBDepict H 3 C N H S O O N H O O IC50 = 9.1 nM 358.42 CNS(=O)(=O)c1ccc2cccc(CCNC(=O)c3ccco3)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL4514167 OBDepict CH 3 O N N H N CH 3 N IC50 = 10.0 nM 292.34 COc1ccc2nc(C)cc(N/N=C/c3cccnc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL1967497 OBDepict CH 3 O N N H N CH 3 OH O CH 3 IC50 = 13.0 nM 337.38 COc1ccc2nc(C)cc(N/N=C/c3cccc(OC)c3O)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL1836819 OBDepict CH 3 O N O N N H + N CH 3 CH 3 _ O IC50 = 14.0 nM 352.39 COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c31 Homo sapiens CHEMBL1837963 single protein format
CHEMBL4435240 OBDepict CH 3 O N NH N H 3 C IC50 = 15.0 nM 305.38 COc1ccc2nc(C)cc(N/N=C/Cc3ccccc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL125082 OBDepict CH 3 N CH 3 HN O N N H 3 C HO IC50 = 16.0 nM 364.45 CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL8150 OBDepict CH 3 N CH 3 HN N O N O O CH 3 H 3 C IC50 = 17.0 nM 394.48 CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL456727 OBDepict CH 3 S N H O H 3 C IC50 = 18.0 nM 259.37 CSc1ccc2cccc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL1237241 OBDepict CH 3 O N N H N H 3 C O + N O _ O IC50 = 18.0 nM 326.31 COc1ccc2nc(C)cc(N/N=C/c3ccc([N+](=O)[O-])o3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL458209 OBDepict H 3 C N H O S O O CH 3 IC50 = 21.0 nM 291.37 CC(=O)NCCc1cccc2ccc(S(C)(=O)=O)cc12 Homo sapiens CHEMBL1772363 single protein format
CHEMBL3770366 OBDepict NH 2 NH O + N O _ O CH 3 O HO IC50 = 24.0 nM 367.36 CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL45 OBDepict CH 3 O N H HN O H 3 C Ki = 27.6 nM 232.28 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL714719 assay format
CHEMBL3770674 OBDepict NH 2 NH O + N O _ O CH 3 O HO IC50 = 28.0 nM 367.36 CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL8219 OBDepict CH 3 N CH 3 HN N O N OH O H 3 C IC50 = 31.0 nM 380.45 CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL457763 OBDepict H 3 C N H O S O O NH 2 IC50 = 32.0 nM 292.36 CC(=O)NCCc1cccc2ccc(S(N)(=O)=O)cc12 Homo sapiens CHEMBL1772363 single protein format
CHEMBL24057 OBDepict NH 2 NH O HN H 2 N IC50 = 35.0 nM 304.35 N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL4222716 single protein format
CHEMBL456646 OBDepict CH 3 NH O + S CH 3 _ O IC50 = 37.0 nM 275.37 CC(=O)NCCc1cccc2ccc([S+](C)[O-])cc12 Homo sapiens CHEMBL1772363 single protein format
CHEMBL941 OBDepict H 3 C N N N H O N H CH 3 N N N Ki = 39.0 nM 493.62 Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Homo sapiens CHEMBL3877211 single protein format
CHEMBL4463549 OBDepict NH 2 N H O N + N O _ O IC50 = 40.0 nM 336.35 NCCNC(=O)c1cc([N+](=O)[O-])cc2ccc(-c3ccccc3)nc12 Homo sapiens CHEMBL4363870 assay format
CHEMBL1836822 OBDepict OH N O N HN + N H 3 C CH 3 _ O IC50 = 42.0 nM 338.37 C[N+](C)([O-])CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL340884 OBDepict CH 3 O N O CH 3 N HN N H 3 C CH 3 IC50 = 46.0 nM 350.42 COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nc(C)n2c31 Homo sapiens CHEMBL1837963 single protein format
CHEMBL4558270 OBDepict CH 3 O N HN N CH 3 OH HO IC50 = 46.0 nM 323.35 COc1ccc2nc(C)cc(N/N=C/c3cc(O)cc(O)c3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL1836826 OBDepict Br N O H 3 C N NH + N CH 3 CH 3 _ O IC50 = 47.0 nM 415.29 Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4cc(Br)ccc4n1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL133534 OBDepict CH 3 O N H O F F F Ki = 48.0 nM 361.36 COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(c1ccccc1)C2 Homo sapiens CHEMBL714719 assay format
CHEMBL334645 OBDepict CH 3 N H O O H 3 C Ki = 48.6 nM 245.32 CCC(=O)NCCC1=CCc2ccc(OC)cc21 Homo sapiens CHEMBL714719 assay format
CHEMBL124373 OBDepict H 3 C N CH 3 NH O N N CH 3 OH IC50 = 50.0 nM 336.4 Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL3770283 OBDepict CH 3 O H 3 C NH NH 2 HN NH 2 IC50 = 50.0 nM 332.41 Cc1c(-c2ccc(C(=N)N)cc2)oc(-c2ccc(C(=N)N)cc2)c1C Homo sapiens CHEMBL3771543 single protein format
CHEMBL4436961 OBDepict CH 3 O N N H N CH 3 HO IC50 = 55.0 nM 307.35 COc1ccc2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL1836825 OBDepict O N N H N CH 3 + N CH 3 CH 3 _ O IC50 = 56.0 nM 336.4 Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4ccccc4n1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL504585 OBDepict H 3 C O N H O N H HN O H 3 C IC50 = 58.0 nM 275.31 COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL125750 OBDepict CH 3 O N O N HN N H 3 C CH 3 IC50 = 59.0 nM 336.4 COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3ncn2c31 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1945406 OBDepict H 2 N O N NH 2 O N Cl CH 3 NH 2 IC50 = 61.0 nM 291.7 CN1C(=O)c2cc(C(N)=O)nc3c(N)c(Cl)c(N)c1c23 Homo sapiens CHEMBL1948139 single protein format
CHEMBL4534563 OBDepict CH 3 O N HN N CH 3 O OH IC50 = 64.0 nM 335.36 COc1ccc2nc(C)cc(N/N=C/c3ccc(C(=O)O)cc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL45 OBDepict CH 3 O N H HN O H 3 C IC50 = 64.6 nM 232.28 COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Homo sapiens CHEMBL1772363 single protein format
CHEMBL3771399 OBDepict NH 2 NH O IC50 = 68.0 nM 262.31 N=C(N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1 Homo sapiens CHEMBL4222716 single protein format
CHEMBL52755 OBDepict CH 3 O + N O _ O N I H N H O H 3 C Ki = 70.0 nM 403.18 COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+](=O)[O-] Homo sapiens CHEMBL713109 assay format
CHEMBL4443539 OBDepict H 2 N N H O N IC50 = 70.0 nM 367.45 NCCNC(=O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)ccc12 Homo sapiens CHEMBL4363870 assay format
CHEMBL4553527 OBDepict CH 3 O N N H N CH 3 N N H IC50 = 71.0 nM 281.32 COc1ccc2nc(C)cc(N/N=C/c3c[nH]cn3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL3769989 OBDepict NH 2 NH O HN H 2 N CH 3 O HO CH 3 O HO IC50 = 72.0 nM 424.46 CC(=O)O.CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL1836823 OBDepict CH 3 O N O H 3 C N NH + N CH 3 CH 3 _ O IC50 = 73.0 nM 366.42 COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nc(C)n2c31 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1836818 OBDepict H 3 C N CH 3 NH O N N CH 3 Br IC50 = 74.0 nM 399.29 Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(Br)ccc4n1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1836817 OBDepict H 3 C N CH 3 NH O N N CH 3 F IC50 = 83.0 nM 338.39 Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1237284 OBDepict CH 3 O N HN N CH 3 + N O _ O IC50 = 83.0 nM 336.35 COc1ccc2nc(C)cc(N/N=C/c3ccc([N+](=O)[O-])cc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL165 OBDepict OH OH HO Ki = 88.0 nM 228.25 Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 Homo sapiens CHEMBL2429517 single protein format
CHEMBL4443793 OBDepict CH 3 O N HN N N N H IC50 = 90.0 nM 343.39 COc1ccc2nc(-c3ccccc3)cc(N/N=C/c3c[nH]cn3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL1836821 OBDepict O N N H N + N CH 3 CH 3 _ O IC50 = 96.0 nM 322.37 C[N+](C)([O-])CCNc1ccc2ncn3c4ccccc4c(=O)c1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1836795 OBDepict CH 3 N H 3 C HN O N N F IC50 = 97.0 nM 324.36 CN(C)CCNc1ccc2ncn3c4ccc(F)cc4c(=O)c1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1836824 OBDepict F N O H 3 C N NH + N CH 3 CH 3 _ O IC50 = 97.0 nM 354.39 Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4cc(F)ccc4n1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL598253 OBDepict CH 3 O N O N N N H + N CH 3 CH 3 _ O IC50 = 98.0 nM 353.38 COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c31 Homo sapiens CHEMBL1065027 single protein format
CHEMBL611083 OBDepict H 3 C O NH O N N N IC50 = 98.0 nM 342.36 COc1ccc(Nc2ccc3nnn4c5ccccc5c(=O)c2c34)cc1 Homo sapiens CHEMBL1065027 single protein format
CHEMBL8238 OBDepict CH 3 N CH 3 HN O N N O CH 3 IC50 = 99.0 nM 364.45 CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL3197908 OBDepict CH 3 O N N H N CH 3 F IC50 = 103.0 nM 309.34 COc1ccc2nc(C)cc(N/N=C/c3ccc(F)cc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL3770187 OBDepict CH 3 O HN H 2 N CH 3 O HO IC50 = 110.0 nM 336.39 CC(=O)O.Cc1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL3769656 OBDepict F O NH NH 2 CH 3 O HO IC50 = 111.0 nM 340.35 CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3cccc(F)c3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL609028 OBDepict Br N O N N HN + N H 3 C CH 3 _ O IC50 = 117.0 nM 402.25 C[N+](C)([O-])CCNc1ccc2nnn3c4ccc(Br)cc4c(=O)c1c23 Homo sapiens CHEMBL1065027 single protein format
CHEMBL4538465 OBDepict CH 3 O N NH N IC50 = 125.0 nM 367.45 COc1ccc2nc(-c3ccccc3)cc(N/N=C/Cc3ccccc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL4467366 OBDepict CH 3 O N N H N CH 3 HO IC50 = 137.0 nM 307.35 COc1ccc2nc(C)cc(N/N=C/c3cccc(O)c3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL3769837 OBDepict NH 2 NH O CH 3 O HO IC50 = 139.0 nM 322.36 CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3ccccc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL3770021 OBDepict CH 3 O HO CH 3 O O HN H 2 N IC50 = 141.0 nM 352.39 CC(=O)O.COc1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL338604 OBDepict CH 3 N CH 3 HN O N N HO IC50 = 148.0 nM 350.42 CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL1945627 OBDepict CH 3 O O N Cl O H 2 N NH 2 NH 2 IC50 = 150.0 nM 294.7 COC(=O)c1cc(C(N)=O)nc2cc(N)c(N)c(Cl)c12 Homo sapiens CHEMBL1948139 single protein format
CHEMBL1802205 OBDepict H 3 C O N Br N Br IC50 = 160.0 nM 368.03 COc1cc(Br)c(Br)c2nc3ccccc3nc12 Homo sapiens CHEMBL1805489 assay format
CHEMBL597442 OBDepict O N N H N N + N CH 3 CH 3 _ O IC50 = 167.0 nM 323.36 C[N+](C)([O-])CCNc1ccc2nnn3c4ccccc4c(=O)c1c23 Homo sapiens CHEMBL1065027 single protein format
CHEMBL2008533 OBDepict H 2 N N HN CH 3 HN CH 3 N NH 2 IC50 = 170.0 nM 456.64 Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 Homo sapiens CHEMBL4363870 assay format
CHEMBL146752 OBDepict CH 3 N H 3 C HN O N N IC50 = 172.0 nM 320.4 CN(C)CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL489688 OBDepict CH 3 O O CH 3 F F F F F F IC50 = 180.0 nM 376.3 COc1ccc(/C=C(/c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1OC Homo sapiens CHEMBL2429516 assay format
CHEMBL3770215 OBDepict Br O NH NH 2 CH 3 O HO IC50 = 185.0 nM 401.26 CC(=O)O.N=C(N)c1ccc(-c2ccc(-c3ccc(Br)cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL1802199 OBDepict H 3 C O Br N N IC50 = 186.0 nM 289.13 COc1c(Br)ccc2nc3ccccc3nc12 Homo sapiens CHEMBL1805489 assay format
CHEMBL2208058 OBDepict CH 3 HN O OH O N H HN O H 3 C IC50 = 200.0 nM 291.31 CC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc21 Homo sapiens CHEMBL2215242 single protein format
CHEMBL1836820 OBDepict F N O N HN + N H 3 C CH 3 _ O IC50 = 205.0 nM 340.36 C[N+](C)([O-])CCNc1ccc2ncn3c4ccc(F)cc4c(=O)c1c23 Homo sapiens CHEMBL1837963 single protein format
CHEMBL1945626 OBDepict CH 3 O O N Cl O O H 2 N CH 3 H 2 N IC50 = 240.0 nM 309.71 COC(=O)c1cc(C(=O)OC)c2c(Cl)c(N)c(N)cc2n1 Homo sapiens CHEMBL1948139 single protein format
CHEMBL1980272 OBDepict NH 2 N NH H 3 C N H CH 3 N H 2 N IC50 = 250.0 nM 442.61 Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 Homo sapiens CHEMBL4363870 assay format
CHEMBL87477 OBDepict CH 3 O O CH 3 O H 3 C H 2 N IC50 = 270.0 nM 285.34 COc1cc(/C=C/c2ccc(N)cc2)cc(OC)c1OC Homo sapiens CHEMBL1175843 assay format
CHEMBL124374 OBDepict CH 3 N H 3 C HN O N N HO IC50 = 296.0 nM 322.37 CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL3771261 OBDepict CH 3 O HO CH 3 O HN H 2 N IC50 = 312.0 nM 350.42 CC(=O)O.CCc1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 Homo sapiens CHEMBL3771536 single protein format
CHEMBL134171 OBDepict CH 3 O N H O H 3 C Ki = 316.0 nM 233.31 COc1ccc2c(c1)C(CCNC(C)=O)CC2 Homo sapiens CHEMBL714719 assay format
CHEMBL1802264 OBDepict _ O + N O Br N N IC50 = 320.0 nM 304.1 O=[N+]([O-])c1cc(Br)c2nc3ccccc3nc2c1 Homo sapiens CHEMBL1805489 assay format
CHEMBL147350 OBDepict H 3 C N CH 3 NH O N N CH 3 IC50 = 323.0 nM 320.4 Cc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23 Homo sapiens CHEMBL1109212 single protein format
CHEMBL599072 OBDepict CH 3 O N O N N N H IC50 = 350.0 nM 370.41 COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c31 Homo sapiens CHEMBL1065027 single protein format
CHEMBL134444 OBDepict CH 3 O NH O F F F Ki = 353.0 nM 301.31 COc1ccc2c(c1)C(CCCNC(=O)C(F)(F)F)CC2 Homo sapiens CHEMBL714719 assay format
CHEMBL334795 OBDepict CH 3 O H HN O H 3 C Ki = 372.0 nM 233.31 COc1ccc2c(c1)[C@@H](CCNC(C)=O)CC2 Homo sapiens CHEMBL714719 assay format
CHEMBL4454218 OBDepict CH 3 O N HN N N IC50 = 372.0 nM 354.41 COc1ccc2nc(-c3ccccc3)cc(N/N=C/c3cccnc3)c2c1 Homo sapiens CHEMBL4363871 assay format
CHEMBL433655 OBDepict CH 3 O H HN O F F F Ki = 374.0 nM 287.28 COc1ccc2c(c1)[C@@H](CCNC(=O)C(F)(F)F)CC2 Homo sapiens CHEMBL714719 assay format
CHEMBL255863 OBDepict CH 3 N N HN F F F O N H H 3 C N N N IC50 = 381.0 nM 529.53 Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL3879684 assay format
CHEMBL941 OBDepict H 3 C N N N H O N H CH 3 N N N IC50 = 400.0 nM 493.62 Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Homo sapiens CHEMBL2217199 single protein format