BDBM50432680 CHEMBL2347919

SMILES: O=c1cc(oc2ccc3ccccc3c12)-c1ccc(OCC#C)cc1

InChI Key: InChIKey=CYHJPHKHAHUWCF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50432680   

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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50432680 (CHEMBL2347919) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H14O3/c1-2-13-24-17-10-7-16(8-11-17)21-14-19(23)22-18-6-4-3-5-15(18)9-12-20(22)25-21/h1,3-12,14H,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50432680 (CHEMBL2347919) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccc(OCC#C)cc1 Show InChI InChI=1S/C22H14O3/c1-2-13-24-17-10-7-16(8-11-17)21-14-19(23)22-18-6-4-3-5-15(18)9-12-20(22)25-21/h1,3-12,14H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
					More data for this Ligand-Target Pair