BDBM50045050 1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-ethanone::Allopregnanolone::CHEMBL435035

SMILES: CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=AURFZBICLPNKBZ-SUZPBREPSA-N

Data: 7 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 7 hits for monomerid = 50045050   

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
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
GABA(A) receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (RAT)	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50045050 (1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...) Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 295: 337-45 (2000) BindingDB Entry DOI: 10.7270/Q2251GQJ
					More data for this Ligand-Target Pair