BDBM50007826 2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-propionylamino)-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL2372949

SMILES: CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O

InChI Key: InChIKey=LJNVNRGOILXPRJ-WCSHJNDUSA-N

Data: 2 EC50

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 2 hits for monomerid = 50007826   

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
Neurokinin 1 receptor (GUINEA PIG)	BDBM50007826 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Rattus norvegicus (Rat))	BDBM50007826 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28-,29-,30-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae				J Med Chem 33: 1848-51 (1990) BindingDB Entry DOI: 10.7270/Q2668C5C
					More data for this Ligand-Target Pair