BDBM50520467 CHEMBL4482942

SMILES: OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=YIOASLYSFGWMAA-JIDHJSLPSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50520467   

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))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(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	16	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))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(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	101	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(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	n/a	n/a	n/a	n/a	129	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50520467 (CHEMBL4482942) Show SMILES OC(=O)C(F)(F)F.CCOc1ccc(CN2CCCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C26H37N3O3.C2HF3O2/c1-4-32-25-9-8-20(17-29-10-6-5-7-11-29)14-21(25)16-28-26(31)24(27)15-23-18(2)12-22(30)13-19(23)3;3-2(4,5)1(6)7/h8-9,12-14,24,30H,4-7,10-11,15-17,27H2,1-3H3,(H,28,31);(H,6,7)/t24-;/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	585	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