BDBM50521447 CHEMBL4448378

SMILES: OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1

InChI Key: InChIKey=SFQXDAZWHCHNTJ-YCBFMBTMSA-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 = 50521447   

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))	BDBM50521447 (CHEMBL4448378) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r| Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	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 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))	BDBM50521447 (CHEMBL4448378) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r| Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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))	BDBM50521447 (CHEMBL4448378) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r| Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	319	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))	BDBM50521447 (CHEMBL4448378) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r| Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/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	71	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