BDBM50403326 CHEMBL449649

SMILES: COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O

InChI Key: InChIKey=OKMSHTCIAGRGNM-UHFFFAOYSA-N

Data: 2 KI

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 = 50403326   

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))	BDBM50403326 (CHEMBL449649) Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O |c:12,t:10| Show InChI InChI=1S/C17H18O3/c1-17-9-8-11(16(18)19)10-12(17)6-7-13-14(17)4-3-5-15(13)20-2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50403326 (CHEMBL449649) Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O |c:12,t:10| Show InChI InChI=1S/C17H18O3/c1-17-9-8-11(16(18)19)10-12(17)6-7-13-14(17)4-3-5-15(13)20-2/h3-6,10H,7-9H2,1-2H3,(H,18,19)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P
					More data for this Ligand-Target Pair