BDBM3789 1-Phenylbenzimidazole Analog 6::2-phenyl-1H-1,3-benzodiazole::US9138393, 2-Phenyl benzimidazole::US9144538, 2-Phenyl benzimidazole::cid_12855

SMILES: c1ccc(cc1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=DWYHDSLIWMUSOO-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

PDB links: 88 PDB IDs contain this monomer as substructures. 88 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 3789   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 5457-65 (1998) Article DOI: 10.1021/jm9804681 BindingDB Entry DOI: 10.7270/Q24T6GJC
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 41: 5457-65 (1998) Article DOI: 10.1021/jm9804681 BindingDB Entry DOI: 10.7270/Q24T6GJC
					More data for this Ligand-Target Pair
Cytochrome P450 2B1 (Rattus norvegicus)	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.				J Med Chem 25: 887-92 (1982) BindingDB Entry DOI: 10.7270/Q2VT1T8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...				US Patent US9138393 (2015) BindingDB Entry DOI: 10.7270/Q2GF0S8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Procter & Gamble Company US Patent					Assay Description Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...				US Patent US9144538 (2015) BindingDB Entry DOI: 10.7270/Q22806DV
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM3789 (1-Phenylbenzimidazole Analog 6 | 2-phenyl-1H-1,3-b...) Show SMILES c1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair