BDBM50130611 2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-butyl}-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionamide::CHEMBL108640

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=XNDDFGCHFYFKSW-PSWAGMNNSA-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 = 50130611   

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))	BDBM50130611 (2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C26H38N4O4/c1-15-9-19(31)10-16(2)21(15)13-23(27)25(33)29-7-5-6-8-30-26(34)24(28)14-22-17(3)11-20(32)12-18(22)4/h9-12,23-24,31-32H,5-8,13-14,27-28H2,1-4H3,(H,29,33)(H,30,34)/t23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation				J Med Chem 46: 3201-9 (2003) Article DOI: 10.1021/jm020459z BindingDB Entry DOI: 10.7270/Q28C9VMQ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50130611 (2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C26H38N4O4/c1-15-9-19(31)10-16(2)21(15)13-23(27)25(33)29-7-5-6-8-30-26(34)24(28)14-22-17(3)11-20(32)12-18(22)4/h9-12,23-24,31-32H,5-8,13-14,27-28H2,1-4H3,(H,29,33)(H,30,34)/t23-,24+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 using [3H]-DPDPE in rat brain P2 synaptosomal preparation				J Med Chem 46: 3201-9 (2003) Article DOI: 10.1021/jm020459z BindingDB Entry DOI: 10.7270/Q28C9VMQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50130611 (2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C26H38N4O4/c1-15-9-19(31)10-16(2)21(15)13-23(27)25(33)29-7-5-6-8-30-26(34)24(28)14-22-17(3)11-20(32)12-18(22)4/h9-12,23-24,31-32H,5-8,13-14,27-28H2,1-4H3,(H,29,33)(H,30,34)/t23-,24+	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Opioid receptor mu 1 agonism in guinea pig ileum				J Med Chem 46: 3201-9 (2003) Article DOI: 10.1021/jm020459z BindingDB Entry DOI: 10.7270/Q28C9VMQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50130611 (2-Amino-N-{4-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C26H38N4O4/c1-15-9-19(31)10-16(2)21(15)13-23(27)25(33)29-7-5-6-8-30-26(34)24(28)14-22-17(3)11-20(32)12-18(22)4/h9-12,23-24,31-32H,5-8,13-14,27-28H2,1-4H3,(H,29,33)(H,30,34)/t23-,24+	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 Opioid receptor delta 1 agonism in mouse vas deferens				J Med Chem 46: 3201-9 (2003) Article DOI: 10.1021/jm020459z BindingDB Entry DOI: 10.7270/Q28C9VMQ
					More data for this Ligand-Target Pair