BDBM50052414 4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid::4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid::4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid::4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid::CHEMBL69367::US9963439, AM580

SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=SZWKGOZKRMMLAJ-UHFFFAOYSA-N

Data  4 IC50  6 Kd  13 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052414   

TargetCytochrome P450 3A4(Homo sapiens (Human))
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50052414(4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthale...)
Affinity DataIC50:  2.30E+3nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
In DepthDetails US Patent