BDBM50019837 2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-[1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethyl]-4-methanesulfinyl-butyramide::CHEMBL2372391

SMILES: CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=FOWRITAUQAONCE-LNILZMDTSA-N

Data: 3 IC50

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 3 hits for monomerid = 50019837   

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 (GUINEA PIG)	BDBM50019837 (2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...) Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50019837 (2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...) Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50019837 (2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N-...) Show SMILES CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C26H35N5O6S/c1-16(23(28)33)29-26(36)22(15-17-6-4-3-5-7-17)31-25(35)21(12-13-38(2)37)30-24(34)20(27)14-18-8-10-19(32)11-9-18/h3-11,16,20-22,32H,12-15,27H2,1-2H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t16?,20-,21-,22-,38?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain				J Med Chem 30: 1538-42 (1987) BindingDB Entry DOI: 10.7270/Q20Z73VC
					More data for this Ligand-Target Pair