BDBM50130619 2-Amino-N-{8-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-octyl}-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionamide::CHEMBL323216

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

InChI Key: InChIKey=VNIKIAIFGZCFAJ-HNRBIFIRSA-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 = 50130619   

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))	BDBM50130619 (2-Amino-N-{8-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H46N4O4/c1-19-13-23(35)14-20(2)25(19)17-27(31)29(37)33-11-9-7-5-6-8-10-12-34-30(38)28(32)18-26-21(3)15-24(36)16-22(26)4/h13-16,27-28,35-36H,5-12,17-18,31-32H2,1-4H3,(H,33,37)(H,34,38)/t27-,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	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))	BDBM50130619 (2-Amino-N-{8-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H46N4O4/c1-19-13-23(35)14-20(2)25(19)17-27(31)29(37)33-11-9-7-5-6-8-10-12-34-30(38)28(32)18-26-21(3)15-24(36)16-22(26)4/h13-16,27-28,35-36H,5-12,17-18,31-32H2,1-4H3,(H,33,37)(H,34,38)/t27-,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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)	BDBM50130619 (2-Amino-N-{8-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H46N4O4/c1-19-13-23(35)14-20(2)25(19)17-27(31)29(37)33-11-9-7-5-6-8-10-12-34-30(38)28(32)18-26-21(3)15-24(36)16-22(26)4/h13-16,27-28,35-36H,5-12,17-18,31-32H2,1-4H3,(H,33,37)(H,34,38)/t27-,28+	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	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)	BDBM50130619 (2-Amino-N-{8-[2-amino-3-(4-hydroxy-2,6-dimethyl-ph...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCCCNC(=O)[C@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H46N4O4/c1-19-13-23(35)14-20(2)25(19)17-27(31)29(37)33-11-9-7-5-6-8-10-12-34-30(38)28(32)18-26-21(3)15-24(36)16-22(26)4/h13-16,27-28,35-36H,5-12,17-18,31-32H2,1-4H3,(H,33,37)(H,34,38)/t27-,28+	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