BDBM50148257 CHEMBL3764219

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O

InChI Key: InChIKey=IQQYNQGXQCQOIG-CWBXHPNXSA-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 = 50148257   

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))	BDBM50148257 (CHEMBL3764219) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenate by scintillation counting analysis				Bioorg Med Chem 24: 1582-8 (2016) BindingDB Entry DOI: 10.7270/Q2Z321H7
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50148257 (CHEMBL3764219) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenate by scintillation counting analysis				Bioorg Med Chem 24: 1582-8 (2016) BindingDB Entry DOI: 10.7270/Q2Z321H7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50148257 (CHEMBL3764219) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenate by scintillation counting analysis				Bioorg Med Chem 24: 1582-8 (2016) BindingDB Entry DOI: 10.7270/Q2Z321H7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50148257 (CHEMBL3764219) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r| Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Agonist activity at human recombinant MOR expressed in CHO cells by calcium mobilization assay				Bioorg Med Chem 24: 1582-8 (2016) BindingDB Entry DOI: 10.7270/Q2Z321H7
					More data for this Ligand-Target Pair