BDBM50055070 CHEMBL3323518

SMILES: Clc1ccc(CC(=O)N2CCN(C3CCCC(C23)N2CCCC2)C(=O)c2ccccc2)cc1Cl

InChI Key: InChIKey=CPAFHNAQSDUSBQ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50055070   

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))	BDBM50055070 (CHEMBL3323518) Show SMILES Clc1ccc(CC(=O)N2CCN(C3CCCC(C23)N2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H31Cl2N3O2/c28-21-12-11-19(17-22(21)29)18-25(33)32-16-15-31(27(34)20-7-2-1-3-8-20)24-10-6-9-23(26(24)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,23-24,26H,4-6,9-10,13-16,18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50055070 (CHEMBL3323518) Show SMILES Clc1ccc(CC(=O)N2CCN(C3CCCC(C23)N2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H31Cl2N3O2/c28-21-12-11-19(17-22(21)29)18-25(33)32-16-15-31(27(34)20-7-2-1-3-8-20)24-10-6-9-23(26(24)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,23-24,26H,4-6,9-10,13-16,18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055070 (CHEMBL3323518) Show SMILES Clc1ccc(CC(=O)N2CCN(C3CCCC(C23)N2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H31Cl2N3O2/c28-21-12-11-19(17-22(21)29)18-25(33)32-16-15-31(27(34)20-7-2-1-3-8-20)24-10-6-9-23(26(24)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,23-24,26H,4-6,9-10,13-16,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50055070 (CHEMBL3323518) Show SMILES Clc1ccc(CC(=O)N2CCN(C3CCCC(C23)N2CCCC2)C(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C27H31Cl2N3O2/c28-21-12-11-19(17-22(21)29)18-25(33)32-16-15-31(27(34)20-7-2-1-3-8-20)24-10-6-9-23(26(24)32)30-13-4-5-14-30/h1-3,7-8,11-12,17,23-24,26H,4-6,9-10,13-16,18H2	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	260	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid...				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair