BDBM50521444 CHEMBL4459283

SMILES: OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1

InChI Key: InChIKey=ZUVAIQJRSZUCJK-CZCBIWLKSA-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 = 50521444   

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))	BDBM50521444 (CHEMBL4459283) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	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))	BDBM50521444 (CHEMBL4459283) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	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))	BDBM50521444 (CHEMBL4459283) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	575	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))	BDBM50521444 (CHEMBL4459283) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/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	107	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