BDBM50453088 CHEMBL2114226

SMILES: CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JWVNTYAIFVDODJ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50453088   

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))	BDBM50453088 (CHEMBL2114226) Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig				J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50453088 (CHEMBL2114226) Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Affinity for opioid receptor mu sites				J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50453088 (CHEMBL2114226) Show SMILES CCO.OC(C(O)C(O)=O)C(O)=O.CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	746	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zambeletti Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound was measured on opioid receptor delta sites.				J Med Chem 34: 2624-33 (1991) BindingDB Entry DOI: 10.7270/Q2CV4GPX
					More data for this Ligand-Target Pair