BDBM50018720 1-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoyl}-3-hydroxy-pyrrolidine-2-carboxylic acid::CHEMBL2370602

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O

InChI Key: InChIKey=CTQBZZOOOPNMNB-RKIDTLIPSA-N

Data: 2 KI  1 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 = 50018720   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50018720 (1-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C35H48N6O10/c1-19(2)13-27(34(49)41-18-24(44)16-28(41)35(50)51)39-32(47)26(15-21-7-5-4-6-8-21)38-29(45)17-37-33(48)30(20(3)42)40-31(46)25(36)14-22-9-11-23(43)12-10-22/h4-12,19-20,24-28,30,42-44H,13-18,36H2,1-3H3,(H,37,48)(H,38,45)(H,39,47)(H,40,46)(H,50,51)/t20-,24+,25-,26-,27-,28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50018720 (1-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C35H48N6O10/c1-19(2)13-27(34(49)41-18-24(44)16-28(41)35(50)51)39-32(47)26(15-21-7-5-4-6-8-21)38-29(45)17-37-33(48)30(20(3)42)40-31(46)25(36)14-22-9-11-23(43)12-10-22/h4-12,19-20,24-28,30,42-44H,13-18,36H2,1-3H3,(H,37,48)(H,38,45)(H,39,47)(H,40,46)(H,50,51)/t20-,24+,25-,26-,27-,28-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018720 (1-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C35H48N6O10/c1-19(2)13-27(34(49)41-18-24(44)16-28(41)35(50)51)39-32(47)26(15-21-7-5-4-6-8-21)38-29(45)17-37-33(48)30(20(3)42)40-31(46)25(36)14-22-9-11-23(43)12-10-22/h4-12,19-20,24-28,30,42-44H,13-18,36H2,1-3H3,(H,37,48)(H,38,45)(H,39,47)(H,40,46)(H,50,51)/t20-,24+,25-,26-,27-,28-,30+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair