BDBM50407310 CHEMBL37880

SMILES: COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O

InChI Key: InChIKey=JMOOGCFXFNKYCS-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50407310   

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))	BDBM50407310 (CHEMBL37880) Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50407310 (CHEMBL37880) Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50407310 (CHEMBL37880) Show SMILES COc1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-7-14(17(19)20)18-13(12)9-16(15)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate				Eur J Med Chem 84: 454-65 (2014) Article DOI: 10.1016/j.ejmech.2014.07.056 BindingDB Entry DOI: 10.7270/Q2057HM8
					More data for this Ligand-Target Pair