BDBM50103880 Benzoic acid 8-allyl-2-oxo-2H-chromen-7-yl ester::CHEMBL76959

SMILES: C=CCc1c(OC(=O)c2ccccc2)ccc2ccc(=O)oc12

InChI Key: InChIKey=AAZOBYFNWROZDK-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 = 50103880   

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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50103880 (Benzoic acid 8-allyl-2-oxo-2H-chromen-7-yl ester |...) Show SMILES C=CCc1c(OC(=O)c2ccccc2)ccc2ccc(=O)oc12 Show InChI InChI=1S/C19H14O4/c1-2-6-15-16(22-19(21)14-7-4-3-5-8-14)11-9-13-10-12-17(20)23-18(13)15/h2-5,7-12H,1,6H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line)				Bioorg Med Chem Lett 11: 2361-3 (2001) BindingDB Entry DOI: 10.7270/Q2RR1ZS9
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50103880 (Benzoic acid 8-allyl-2-oxo-2H-chromen-7-yl ester |...) Show SMILES C=CCc1c(OC(=O)c2ccccc2)ccc2ccc(=O)oc12 Show InChI InChI=1S/C19H14O4/c1-2-6-15-16(22-19(21)14-7-4-3-5-8-14)11-9-13-10-12-17(20)23-18(13)15/h2-5,7-12H,1,6H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line)				Bioorg Med Chem Lett 11: 2361-3 (2001) BindingDB Entry DOI: 10.7270/Q2RR1ZS9
					More data for this Ligand-Target Pair