BDBM50520471 CHEMBL4592669

SMILES: OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=ZKUCNKYUWVUJCG-SNYZSRNZSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50520471   

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 (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	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 MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.820	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 DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	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 KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50520471 (CHEMBL4592669) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CNCc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C28H35N3O3.C2HF3O2/c1-4-34-27-11-10-22(17-30-16-21-8-6-5-7-9-21)14-23(27)18-31-28(33)26(29)15-25-19(2)12-24(32)13-20(25)3;3-2(4,5)1(6)7/h5-14,26,30,32H,4,15-18,29H2,1-3H3,(H,31,33);(H,6,7)/t26-;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...				J Med Chem 63: 1671-1683 (2020) Article DOI: 10.1021/acs.jmedchem.9b01818
					More data for this Ligand-Target Pair