BDBM50166215 17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one

SMILES: CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O

InChI Key: InChIKey=BROLKJHQMMXCRO-DYZJZLFBSA-N

Data: 3 KI  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 5 hits for monomerid = 50166215   

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 (Rattus norvegicus (rat))	BDBM50166215 (17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2| Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50166215 (17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2| Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50166215 (17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2| Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50166215 (17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2| Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description In vitro agonistic activity against opioid receptor delta of mouse vas deferens				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50166215 (17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...) Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2| Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description In vitro agonistic activity against opioid receptor mu of guinea pig ileum				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair