null

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1

InChI Key: InChIKey=OOKLDXGRMJGSQV-ZLPBPMGLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50195658   

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))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	1.30	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	13	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	34	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	3.70	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))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	63	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50195658 (CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,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	43	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