BDBM50520468 CHEMBL4587201

SMILES: OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=UVPPWKCLRRDADJ-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 = 50520468   

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))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	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))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(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	1.90	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))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(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	12	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))	BDBM50520468 (CHEMBL4587201) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN(C)Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C29H37N3O3.C2HF3O2/c1-5-35-28-12-11-23(19-32(4)18-22-9-7-6-8-10-22)15-24(28)17-31-29(34)27(30)16-26-20(2)13-25(33)14-21(26)3;3-2(4,5)1(6)7/h6-15,27,33H,5,16-19,30H2,1-4H3,(H,31,34);(H,6,7)/t27-;/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	34	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