BDBM50009184 3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-methyl-butyrylamino}-butyrylamino)-succinamic acid::CHEMBL2372709

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

InChI Key: InChIKey=ILERMKZJLBCCNH-UOLJLTGZSA-N

Data: 4 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 = 50009184   

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)	BDBM50009184 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50009184 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009184 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50009184 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C36H50N8O10/c1-5-25(35(53)42-26(31(38)49)17-29(47)48)41-36(54)30(19(2)3)44-28(46)18-39-34(52)27(16-21-9-7-6-8-10-21)43-32(50)20(4)40-33(51)24(37)15-22-11-13-23(45)14-12-22/h6-14,19-20,24-27,30,45H,5,15-18,37H2,1-4H3,(H2,38,49)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,43,50)(H,44,46)(H,47,48)/t20-,24-,25-,26-,27-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair