null

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=FFDBZKOGLUZBID-FQYQUSJJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50195672   

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))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/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	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/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	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50195672 (CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/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	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells				J Med Chem 49: 6104-10 (2006) Article DOI: 10.1021/jm060595u BindingDB Entry DOI: 10.7270/Q24X58MF
					More data for this Ligand-Target Pair