BDBM50016086 4-cyclopropylmethyl-10,17-dihydroxy-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-6,14-dione(Ketonaltrexone)::CHEMBL366520

SMILES: Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O

InChI Key: InChIKey=MLHMRULRADVYER-ZUPWUQBJSA-N

Data: 3 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 3 hits for monomerid = 50016086   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50016086 (4-cyclopropylmethyl-10,17-dihydroxy-(13R,17S)-12-o...) Show SMILES Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O |TLB:14:13:5.24.4:16.22.21,6:5:13:16.22.21,THB:25:24:13:16.22.21| Show InChI InChI=1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17?,18-,19?,20+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding constant in guinea pig brain homogenate was reported at mu site at a temperature 25 degree Centigrade labeled with [3H](D-Ala2-MeP...				J Med Chem 28: 974-6 (1985) BindingDB Entry DOI: 10.7270/Q27W6CSW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50016086 (4-cyclopropylmethyl-10,17-dihydroxy-(13R,17S)-12-o...) Show SMILES Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O |TLB:14:13:5.24.4:16.22.21,6:5:13:16.22.21,THB:25:24:13:16.22.21| Show InChI InChI=1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17?,18-,19?,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor kappa 1 at temperature 25 degree Celsius labeled with (-)-...				J Med Chem 28: 974-6 (1985) BindingDB Entry DOI: 10.7270/Q27W6CSW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50016086 (4-cyclopropylmethyl-10,17-dihydroxy-(13R,17S)-12-o...) Show SMILES Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(N(CC5CC5)CCC314)C2=O |TLB:14:13:5.24.4:16.22.21,6:5:13:16.22.21,THB:25:24:13:16.22.21| Show InChI InChI=1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17?,18-,19?,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor delta 1 at a temperature 25 degree Celsius labeled with [3...				J Med Chem 28: 974-6 (1985) BindingDB Entry DOI: 10.7270/Q27W6CSW
					More data for this Ligand-Target Pair