BDBM50316615 (+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-6,8-diazabicyclo[3.2.2]nonane-6-carboxylate::CHEMBL1094880

SMILES: COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1

InChI Key: InChIKey=OMVSGZSRXSCVQR-LZQZEXGQSA-N

Data: 5 KI  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 6 hits for monomerid = 50316615   

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 (Cavia porcellus (domestic guinea pig))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/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	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [(3)H]U69593 from mu opioid receptor				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50316615 ((+)-Methyl(1S,2R,5R)-8-[2-(3,4-Dichlorophenyl)acet...) Show SMILES COC(=O)N1C[C@H]2[C@@H](CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1 |r,TLB:2:4:12.11:9.8.7,THB:24:7:12.11:4.5| Show InChI InChI=1S/C21H27Cl2N3O3/c1-29-21(28)25-13-19-18(24-8-2-3-9-24)7-5-15(25)12-26(19)20(27)11-14-4-6-16(22)17(23)10-14/h4,6,10,15,18-19H,2-3,5,7-9,11-13H2,1H3/t15-,18-,19+/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	87	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair