null

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=CUQFOTQJZNKDLP-LMUOQGPPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50398756   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50398756 (CHEMBL2179650) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50398756 (CHEMBL2179650) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50398756 (CHEMBL2179650) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50398756 (CHEMBL2179650) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCc1ccccc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H33ClN2O3/c37-28-11-8-24(9-12-28)27-16-26-18-36(41-21-23-4-2-1-3-5-23)30-17-25-10-13-29(40)33-31(25)35(36,34(42-33)32(26)38-19-27)14-15-39(30)20-22-6-7-22/h1-5,8-13,16,19,22,30,34,40H,6-7,14-15,17-18,20-21H2/t30-,34+,35+,36-/m1/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	27	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair