BDBM50268401 CHEMBL4105584

SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)N(C)C)-c1ccc(OC)cc21)C(=O)N1[C@@]2([H])CC[C@]1([H])CN(C)C2

InChI Key InChIKey=ZTTKEBYSXUCBSE-QDFUAKMASA-N

Data  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50268401   

TargetRNA-directed RNA polymerase(Hepatitis C virus)
Boston University

Curated by ChEMBL
LigandPNGBDBM50268401(CHEMBL4105584)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of Hepatitis C virus NS5b RNA polymeraseMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50268401(CHEMBL4105584)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of PXR in human hepatocytes assessed as induction of CYP450 expressionMore data for this Ligand-Target Pair