BDBM50224342 CHEMBL1788139

SMILES: OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1

InChI Key: InChIKey=VXGGYNYTDNGFEC-BTJKTKAUSA-N

Data: 2 IC50

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 2 hits for monomerid = 50224342   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50224342 (CHEMBL1788139) Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C23H35ClN2O2.C4H4O4/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24;5-3(6)1-2-4(7)8/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl				J Med Chem 26: 42-50 (1983) BindingDB Entry DOI: 10.7270/Q23X88VD
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50224342 (CHEMBL1788139) Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C23H35ClN2O2.C4H4O4/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24;5-3(6)1-2-4(7)8/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl.				J Med Chem 26: 42-50 (1983) BindingDB Entry DOI: 10.7270/Q23X88VD
					More data for this Ligand-Target Pair