BDBM50123992 3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamino-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one::CHEMBL352965

SMILES: CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21

InChI Key: InChIKey=YCJIZJTVBUVHIS-DQNHKJGCSA-N

Data: 3 KI  2 EC50

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 = 50123992   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50123992 (3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4| Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50123992 (3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4| Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50123992 (3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4| Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50123992 (3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4| Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1				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 (Homo sapiens (Human))	BDBM50123992 (3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...) Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4| Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1				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