BDBM50221420 (S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-(6-methyl-3-oxo-3,4-dihydropyrazin-2-yl)butyl)propanamide::CHEMBL392828

SMILES: Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1

InChI Key: InChIKey=JBAQDPIFUIUCNE-KRWDZBQOSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50221420   

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))	BDBM50221420 ((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...) Show SMILES Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1 Show InChI InChI=1S/C20H28N4O3/c1-12-8-15(25)9-13(2)16(12)10-17(21)19(26)22-7-5-4-6-18-20(27)23-11-14(3)24-18/h8-9,11,17,25H,4-7,10,21H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor				Bioorg Med Chem Lett 17: 5768-71 (2007) Article DOI: 10.1016/j.bmcl.2007.08.058 BindingDB Entry DOI: 10.7270/Q2N29WPB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50221420 ((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...) Show SMILES Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1 Show InChI InChI=1S/C20H28N4O3/c1-12-8-15(25)9-13(2)16(12)10-17(21)19(26)22-7-5-4-6-18-20(27)23-11-14(3)24-18/h8-9,11,17,25H,4-7,10,21H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor				Bioorg Med Chem Lett 17: 5768-71 (2007) Article DOI: 10.1016/j.bmcl.2007.08.058 BindingDB Entry DOI: 10.7270/Q2N29WPB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221420 ((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...) Show SMILES Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1 Show InChI InChI=1S/C20H28N4O3/c1-12-8-15(25)9-13(2)16(12)10-17(21)19(26)22-7-5-4-6-18-20(27)23-11-14(3)24-18/h8-9,11,17,25H,4-7,10,21H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 17: 5768-71 (2007) Article DOI: 10.1016/j.bmcl.2007.08.058 BindingDB Entry DOI: 10.7270/Q2N29WPB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50221420 ((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(4-...) Show SMILES Cc1c[nH]c(=O)c(CCCCNC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)n1 Show InChI InChI=1S/C20H28N4O3/c1-12-8-15(25)9-13(2)16(12)10-17(21)19(26)22-7-5-4-6-18-20(27)23-11-14(3)24-18/h8-9,11,17,25H,4-7,10,21H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 17: 5768-71 (2007) Article DOI: 10.1016/j.bmcl.2007.08.058 BindingDB Entry DOI: 10.7270/Q2N29WPB
					More data for this Ligand-Target Pair