BDBM50521442 CHEMBL4464497

SMILES: OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=CZAPISOUPRDNGI-JIDHJSLPSA-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 = 50521442   

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 (Rattus norvegicus (rat))	BDBM50521442 (CHEMBL4464497) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50521442 (CHEMBL4464497) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50521442 (CHEMBL4464497) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50521442 (CHEMBL4464497) Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	264	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at rat Mu-type opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 ...				J Med Chem 62: 4142-4157 (2019) Article DOI: 10.1021/acs.jmedchem.9b00219
					More data for this Ligand-Target Pair