BDBM50007831 2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionylamino]-3-phenyl-propionylamino}-acetylamino)-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL54622

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

InChI Key: InChIKey=RCHZNZRDPVGELR-DZUOILHNSA-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 = 50007831   

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)	BDBM50007831 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27-,28-,29-/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	6.90	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))	BDBM50007831 (2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27-,28-,29-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7.10	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