BDBM50535341 CHEMBL4529363

SMILES: OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12

InChI Key: InChIKey=NIWXXUCAQCWSOE-JDAAGFJYSA-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 = 50535341   

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))	BDBM50535341 (CHEMBL4529363) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12 |r| Show InChI InChI=1S/C29H31N3O3.C2HF3O2/c1-17-11-21(33)12-18(2)23(17)16-25(30)29(34)32-27-9-10-31-26-8-7-19(14-24(26)27)13-22-15-20-5-3-4-6-28(20)35-22;3-2(4,5)1(6)7/h3-8,11-12,14-15,25,27,31,33H,9-10,13,16,30H2,1-2H3,(H,32,34);(H,6,7)/t25-,27+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation counting...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50535341 (CHEMBL4529363) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12 |r| Show InChI InChI=1S/C29H31N3O3.C2HF3O2/c1-17-11-21(33)12-18(2)23(17)16-25(30)29(34)32-27-9-10-31-26-8-7-19(14-24(26)27)13-22-15-20-5-3-4-6-28(20)35-22;3-2(4,5)1(6)7/h3-8,11-12,14-15,25,27,31,33H,9-10,13,16,30H2,1-2H3,(H,32,34);(H,6,7)/t25-,27+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation count...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50535341 (CHEMBL4529363) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12 |r| Show InChI InChI=1S/C29H31N3O3.C2HF3O2/c1-17-11-21(33)12-18(2)23(17)16-25(30)29(34)32-27-9-10-31-26-8-7-19(14-24(26)27)13-22-15-20-5-3-4-6-28(20)35-22;3-2(4,5)1(6)7/h3-8,11-12,14-15,25,27,31,33H,9-10,13,16,30H2,1-2H3,(H,32,34);(H,6,7)/t25-,27+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes measured after 1 hr by liquid scintillation counti...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50535341 (CHEMBL4529363) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3cc4ccccc4o3)cc12 |r| Show InChI InChI=1S/C29H31N3O3.C2HF3O2/c1-17-11-21(33)12-18(2)23(17)16-25(30)29(34)32-27-9-10-31-26-8-7-19(14-24(26)27)13-22-15-20-5-3-4-6-28(20)35-22;3-2(4,5)1(6)7/h3-8,11-12,14-15,25,27,31,33H,9-10,13,16,30H2,1-2H3,(H,32,34);(H,6,7)/t25-,27+;/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	1.10	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair