BDBM50386673 CHEMBL2048773

SMILES: Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1

InChI Key: InChIKey=JAMOJAWCNGJKHW-WYMJOSIYSA-N

Data: 3 KI  1 IC50  1 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 = 50386673   

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 (Homo sapiens (Human))	BDBM50386673 (CHEMBL2048773) Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386673 (CHEMBL2048773) Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/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	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50386673 (CHEMBL2048773) Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386673 (CHEMBL2048773) Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50386673 (CHEMBL2048773) Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r| Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/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	1.80	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...				J Med Chem 55: 3878-90 (2012) Article DOI: 10.1021/jm3001086 BindingDB Entry DOI: 10.7270/Q28053P6
					More data for this Ligand-Target Pair