BDBM50124003 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-(4-methoxy-benzyl)-amine::CHEMBL168913

SMILES: COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1

InChI Key: InChIKey=WHIHGNHXGKVNNM-XLXODUMSSA-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 = 50124003   

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)	BDBM50124003 ((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...) Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19| Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50124003 ((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...) Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19| Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50124003 ((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...) Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19| Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair