null

SMILES: COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1

InChI Key: InChIKey=VADMXSBIVTVLGD-KJYTXNCISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50386679   

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 (Homo sapiens (Human))	BDBM50386679 (CHEMBL2048765) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/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	0.510	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50386679 (CHEMBL2048765) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50386679 (CHEMBL2048765) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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))	BDBM50386679 (CHEMBL2048765) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/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	2	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))	BDBM50386679 (CHEMBL2048765) Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r| Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/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	0.430	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