HOME LIGAND hPROTEOME OTHERS DOCUMENT

O00767 | SCD_HUMAN | Stearoyl-CoA desaturase (SCD)

3D structures mapped by conservation among orthologs

[ Domain: "Integral membrane Acyl-CoA desaturase" // FA_desaturase ]

download pymol session



[ 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
CHEMBL564507 OBDepict OH O NH NH O CH 3 N S F F F IC50 = 0.04 nM 465.5 CCNc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL494748 OBDepict CH 3 O N O N N H N H O H 3 C Cl F F F IC50 = 0.05 nM 544.96 COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL593108 OBDepict F F F O N N N N O N N IC50 = 0.06 nM 508.5 FC(F)(F)c1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL1276595 OBDepict Cl O N N N N O N N IC50 = 0.06 nM 474.95 Clc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1285217 microsome format
CHEMBL1276623 OBDepict F O F N N N N O N N IC50 = 0.1 nM 476.49 Fc1ccc(F)c2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1285217 microsome format
CHEMBL1276653 OBDepict CH 3 O N N N N O N N IC50 = 0.2 nM 454.53 Cc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1285217 microsome format
CHEMBL552173 OBDepict OH O O CH 3 NH O N S F F F F F F IC50 = 0.3 nM 520.45 COc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL1276654 OBDepict F O N N N N O N N IC50 = 0.3 nM 458.5 Fc1cccc2c1CCC1(CCN(c3ccc(-c4nnc(Cc5cccnc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1285217 microsome format
CHEMBL605412 OBDepict O N H N N OH N N O F F F IC50 = 0.45 nM 513.52 O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL572876 OBDepict OH HN O N O O N H Cl Cl IC50 = 0.5 nM 424.28 O=C(CO)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc21 Homo sapiens CHEMBL1044832 cell-based format
CHEMBL3127535 OBDepict OH N N N N N F IC50 = 0.5 nM 405.48 OCc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL549625 OBDepict OH O O NH O O N S CH 3 F F F IC50 = 0.6 nM 496.51 COCCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL557445 OBDepict OH O O CH 3 NH O N S F F F F IC50 = 0.6 nM 470.44 COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL595254 OBDepict OH NH N O N N N O Cl IC50 = 1.0 nM 479.97 O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(Cl)cccc4O3)CC2)nn1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL1087015 OBDepict OH O N N S N N O F F F IC50 = 1.0 nM 426.42 OCc1nc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)no1 Homo sapiens CHEMBL1106892 cell-based format
CHEMBL552126 OBDepict OH O O CH 3 NH O N S Cl Cl IC50 = 1.0 nM 453.35 COc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL550800 OBDepict OH O O CH 3 NH O N S Cl Cl IC50 = 1.0 nM 453.35 COc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL3914136 OBDepict HO O N N N N S N N O F F F IC50 = 1.0 nM 480.47 O=C(O)Cn1nnc(-c2cnc(N3CCC4(CCc5c(cccc5C(F)(F)F)O4)CC3)s2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3976984 OBDepict HO O N N N N N S N N O F F F IC50 = 1.0 nM 481.46 O=C(O)Cn1nnc(-c2nnc(N3CCC4(CCc5c(cccc5C(F)(F)F)O4)CC3)s2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3979824 OBDepict HO O N N N N S N N O CH 3 IC50 = 1.0 nM 426.5 Cc1cccc2c1CCC1(CCN(c3ncc(-c4nnn(CC(=O)O)n4)s3)CC1)O2 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3919514 OBDepict HO O N N N N S N N O Br IC50 = 1.0 nM 491.37 O=C(O)Cn1nnc(-c2cnc(N3CCC4(CCc5c(Br)cccc5O4)CC3)s2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3942017 OBDepict OH O N N N N O N N O Br IC50 = 1.0 nM 475.3 O=C(O)Cn1nnc(-c2cc(N3CCC4(CCc5c(Br)cccc5O4)CC3)no2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3914019 OBDepict HO O N N N N S N N O O F F F IC50 = 1.0 nM 496.47 O=C(O)Cn1nnc(-c2cnc(N3CCC4(CCc5c(OC(F)(F)F)cccc5O4)CC3)s2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3895997 OBDepict HO O N N N N N S N N O O F F F IC50 = 1.0 nM 497.46 O=C(O)Cn1nnc(-c2nnc(N3CCC4(CCc5c(OC(F)(F)F)cccc5O4)CC3)s2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL3970644 OBDepict OH O N N N N O N N O O F F F IC50 = 1.0 nM 480.4 O=C(O)Cn1nnc(-c2cc(N3CCC4(CCc5c(OC(F)(F)F)cccc5O4)CC3)no2)n1 Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL594071 OBDepict H N N N N N N N O F F F IC50 = 1.0 nM 507.52 FC(F)(F)c1cccc2c1CCC1(CCN(c3ccc(-c4nc(Cc5cccnc5)n[nH]4)nn3)CC1)O2 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL595255 OBDepict HO HN N O N N N O CH 3 IC50 = 1.0 nM 459.55 Cc1cccc2c1CCC1(CCN(c3ccc(C(=O)NCC(O)c4cccnc4)nn3)CC1)O2 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL1276685 OBDepict N N O N N N N O IC50 = 1.0 nM 440.51 c1cncc(Cc2nnc(-c3ccc(N4CCC5(CCc6ccccc6O5)CC4)nn3)o2)c1 Homo sapiens CHEMBL1285217 microsome format
CHEMBL4066506 OBDepict HO N N S N N N F F F F F F IC50 = 1.2 nM 489.45 OCc1nsc(-c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)(C(F)(F)F)CC3)nn2)n1 Homo sapiens CHEMBL4055361 assay format
CHEMBL549758 OBDepict OH O O NH O CH 3 N S F F F IC50 = 2.0 nM 466.48 CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL552270 OBDepict OH O O CH 3 NH O N S Cl F IC50 = 2.0 nM 436.89 COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(Cl)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL594995 OBDepict O N H N N OH N N O F F IC50 = 2.0 nM 481.5 O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(F)ccc(F)c4O3)CC2)nn1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL3127654 OBDepict F N N N N S N CH 3 IC50 = 2.0 nM 395.51 Cc1csc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)n1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL3127534 OBDepict F N N N N N CH 3 IC50 = 2.0 nM 389.48 Cc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL4104190 OBDepict HO N N O N N N F F F F F F IC50 = 2.3 nM 473.38 OCc1noc(-c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)(C(F)(F)F)CC3)nn2)n1 Homo sapiens CHEMBL4055361 assay format
CHEMBL4094042 OBDepict HO N S N N N N F F F F F F IC50 = 2.5 nM 489.45 OCc1nnc(-c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)(C(F)(F)F)CC3)nn2)s1 Homo sapiens CHEMBL4055361 assay format
CHEMBL575817 OBDepict HO NH O N O N N H F F F F F F IC50 = 2.7 nM 488.39 O=C(CO)NCCn1c(=O)c(C(F)(F)F)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21 Homo sapiens CHEMBL1044832 cell-based format
CHEMBL594289 OBDepict O N H N N OH N O IC50 = 2.7 nM 444.54 O=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CCc4ccccc4O3)CC2)nn1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL521993 OBDepict CH 3 O N O N N N H O H 2 N F F F IC50 = 2.8 nM 497.48 COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCC(N)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL4282070 OBDepict HO S N N H O NH F F F IC50 = 2.8 nM 407.42 O=C(Nc1ncc(CO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL552269 OBDepict OH O O CH 3 NH O N S F F IC50 = 2.9 nM 420.44 COc1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL4295170 OBDepict CH 3 N H N H O S N O OH IC50 = 3.0 nM 451.59 CCCCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4277121 OBDepict H 3 C N H N H O S N HO IC50 = 3.0 nM 409.56 CCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL550172 OBDepict OH O O CH 3 NH O N S F F F IC50 = 3.0 nM 452.45 COc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL3939859 OBDepict HO O N O N S N N O Cl IC50 = 3.0 nM 460.94 O=C(O)Cn1ccn(-c2cnc(N3CCC4(CCc5c(Cl)cccc5O4)CC3)s2)c1=O Homo sapiens CHEMBL3887402 tissue-based format
CHEMBL560271 OBDepict H 3 C O N H O N S F F F IC50 = 3.0 nM 418.44 COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 Homo sapiens CHEMBL1060792 microsome format
CHEMBL3127543 OBDepict OH N N N N N N F IC50 = 3.0 nM 394.45 OCc1cn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL2315102 OBDepict Cl NH O N N N N O F F F IC50 = 3.0 nM 489.89 O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 Homo sapiens CHEMBL2321455 cell-based format
CHEMBL494359 OBDepict CH 3 O N O N N H N H O H 3 C CH 3 F IC50 = 3.1 nM 474.54 COc1ccc(-c2nc3ccc(NCc4ccc(F)c(C)c4)cc3n(CCNC(C)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL4278602 OBDepict CH 3 NH NH O S N OH IC50 = 3.2 nM 395.53 CCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CO)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL494544 OBDepict CH 3 N O N N H N H O H 3 C F F F IC50 = 3.2 nM 508.54 CCc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL493961 OBDepict CH 3 O N O N N H N H O H 3 C F F F IC50 = 3.3 nM 510.52 COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL4289946 OBDepict HO S N N H O N H F F F IC50 = 3.8 nM 421.44 O=C(Nc1ncc(CCO)s1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4277371 OBDepict OH N S NH O HN F F F IC50 = 3.8 nM 407.42 O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4293631 OBDepict OH N S HN O S N H F F F IC50 = 3.9 nM 427.47 O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1 Homo sapiens CHEMBL4268600 assay format
CHEMBL564740 OBDepict OH O N CH 3 CH 3 NH O N S F F F IC50 = 4.0 nM 493.55 CCN(CC)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1056246 microsome format
CHEMBL562268 OBDepict OH O O CH 3 NH O N S O F F F IC50 = 4.0 nM 468.45 COc1ccc(C(=O)Nc2ncc(Cc3cccc(OC(F)(F)F)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL561588 OBDepict OH O O CH 3 NH O N S Cl IC50 = 4.0 nM 418.9 COc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OCCO Homo sapiens CHEMBL1060792 microsome format
CHEMBL1276686 OBDepict N N O N N N N O IC50 = 4.0 nM 440.51 c1ccc(Cc2nnc(-c3ccc(N4CCC5(CCc6ccccc6O5)CC4)nn3)o2)nc1 Homo sapiens CHEMBL1285217 microsome format
CHEMBL3127537 OBDepict CH 3 O N N N N N F IC50 = 4.0 nM 405.48 COc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL4282359 OBDepict CH 3 N S HN O N H F F F IC50 = 4.1 nM 391.42 Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4288013 OBDepict OH N S NH O N H F F F IC50 = 4.2 nM 421.44 O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4283141 OBDepict OH N S NH O HN Cl IC50 = 4.3 nM 373.87 O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2Cl)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4285765 OBDepict CH 3 NH S NH O S N OH IC50 = 4.5 nM 443.64 CCCCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)s1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4287233 OBDepict CH 3 N H N H O S N O OH IC50 = 4.5 nM 479.65 CCCCCCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4086275 OBDepict HO N O N N N N F F F F F F IC50 = 4.7 nM 473.38 OCc1nnc(-c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)(C(F)(F)F)CC3)nn2)o1 Homo sapiens CHEMBL4055361 assay format
CHEMBL4284015 OBDepict CH 3 NH S NH O S N O OH IC50 = 4.8 nM 457.62 CCCCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)s1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4286817 OBDepict CH 3 H 3 C N H N H O S N O HO IC50 = 4.8 nM 437.57 CC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL591781 OBDepict F OH NH O N N N O CH 3 IC50 = 5.0 nM 462.53 Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccc(F)cc3)nn2)CC1 Homo sapiens CHEMBL1071886 microsome format
CHEMBL1938870 OBDepict OH O N N N N O N N O Br F IC50 = 5.0 nM 467.26 O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1 Homo sapiens CHEMBL2154840 cell-based format
CHEMBL4294042 OBDepict OH N S N H O S N H F F F IC50 = 5.1 nM 413.45 O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)s1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4281222 OBDepict OH O N S HN O N H F F F IC50 = 5.1 nM 435.43 O=C(O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4280771 OBDepict OH N S NH O HN F F F IC50 = 5.2 nM 435.47 O=C(Nc1nc(CCCO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4285064 OBDepict HO N S NH O N H CH 3 CH 3 IC50 = 5.3 nM 423.58 CC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CCO)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4283470 OBDepict HO O N S NH O N H IC50 = 5.5 nM 457.56 O=C(O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)cc2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4290642 OBDepict H 3 C N H N H O S N O HO IC50 = 5.5 nM 423.54 CCCCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL522872 OBDepict CH 3 O N O N N N N H O H 2 N F F F IC50 = 5.6 nM 498.47 COc1ccc(-c2nc3cnc(NCc4cccc(C(F)(F)F)c4)nc3n(CCC(N)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL3127652 OBDepict F N N N N S CH 3 IC50 = 6.0 nM 394.52 Cc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)s1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL589404 OBDepict F OH N H O N N N O CH 3 IC50 = 6.0 nM 462.53 Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3cccc(F)c3)nn2)CC1 Homo sapiens CHEMBL1071886 microsome format
CHEMBL1276720 OBDepict N N O N N N N O IC50 = 6.0 nM 440.51 c1ccc2c(c1)CCC1(CCN(c3ccc(-c4nnc(Cc5ccncc5)o4)nn3)CC1)O2 Homo sapiens CHEMBL1285217 microsome format
CHEMBL595253 OBDepict OH NH N O N N N O F IC50 = 6.0 nM 463.51 O=C(NCC(O)c1cccnc1)c1ccc(N2CCC3(CCc4c(F)cccc4O3)CC2)nn1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL3684115 OBDepict CH 3 N N N N N N N Cl IC50 = 6.0 nM 393.88 Cn1cc(-c2ccc(N3CCC(n4nc(Cl)c5ccccc54)CC3)nn2)cn1 Homo sapiens CHEMBL3705653 single protein format
CHEMBL3127539 OBDepict CH 3 N H O N N N N N F IC50 = 6.0 nM 432.5 CNC(=O)c1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL3127532 OBDepict F N N N N F IC50 = 6.0 nM 392.45 Fc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cc1 Homo sapiens CHEMBL3705653 single protein format
CHEMBL3127644 OBDepict OH N N N N N N F IC50 = 6.0 nM 394.45 OCc1cnn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)c1 Homo sapiens CHEMBL3130897 cell-based format
CHEMBL573829 OBDepict HO NH O N O N H 3 C N H F F F IC50 = 6.1 nM 434.42 Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O Homo sapiens CHEMBL1044832 cell-based format
CHEMBL4292509 OBDepict OH O N S N H O HN F F F IC50 = 6.3 nM 449.45 O=C(O)CCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4284259 OBDepict CH 3 N S HN O N H CH 3 IC50 = 6.4 nM 337.45 Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL4286512 OBDepict OH N S NH O N H Cl IC50 = 6.4 nM 387.89 O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2Cl)cc1 Homo sapiens CHEMBL4268600 assay format
CHEMBL522160 OBDepict CH 3 O N O N N H N H O H 3 C N F F F IC50 = 6.5 nM 511.5 COc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)cc3n(CCNC(C)=O)c2=O)cc1 Homo sapiens CHEMBL1010955 cell-based format
CHEMBL4075104 OBDepict OH N N O N N N O IC50 = 6.5 nM 351.37 OCc1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1 Homo sapiens CHEMBL4055372 single protein format
CHEMBL4280567 OBDepict CH 3 CH 3 HN S HN O S N O OH IC50 = 6.7 nM 443.59 CC(C)CCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)s1 Homo sapiens CHEMBL4268600 assay format
CHEMBL590108 OBDepict HO N H S O N N N O CH 3 IC50 = 7.0 nM 450.56 Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccsc3)nn2)CC1 Homo sapiens CHEMBL1071886 microsome format
CHEMBL1950397 OBDepict F O Br N N N N O OH IC50 = 7.0 nM 473.3 O=C(O)c1cncc(-c2ccc(N3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1 Homo sapiens CHEMBL1953011 single protein format
CHEMBL590374 OBDepict O N H N N OH N O F F F IC50 = 7.0 nM 498.51 O=C(NCC(O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 Homo sapiens CHEMBL1071886 microsome format
CHEMBL595474 OBDepict O N H N N OH N O CH 3 IC50 = 7.0 nM 444.54 Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NCC(O)c3ccccc3)nn2)CC1 Homo sapiens CHEMBL1071957 cell-based format
CHEMBL3684091 OBDepict CH 3 O N N N N N O F IC50 = 7.0 nM 405.43 COc1ccc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)nc1 Homo sapiens CHEMBL3705653 single protein format
CHEMBL1081257 OBDepict NH 2 O N S N N O F F F IC50 = 7.0 nM 372.37 NC(=O)c1nnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 Homo sapiens CHEMBL1106892 cell-based format
CHEMBL4288454 OBDepict HO O N S N H O S N H IC50 = 7.5 nM 463.58 O=C(O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)s2)n1 Homo sapiens CHEMBL4268600 assay format
CHEMBL3104819 OBDepict O N N N S H 3 C NH O N IC50 = 8.0 nM 435.55 Cc1nc(N2CCN(CCCc3ccccc3)C2=O)sc1C(=O)NCc1cccnc1 Homo sapiens CHEMBL3108186 cell-based format