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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50007832'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-P receptor


(GUINEA PIG)		BDBM50007832
PNG
(2-(3-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C37H53N7O6S/c1-24(2)21-31(36(49)41-27(33(39)46)17-20-51-3)44-19-16-28(37(44)50)42-35(48)30(23-26-13-8-5-9-14-26)43-34(47)29(40-32(45)15-10-18-38)22-25-11-6-4-7-12-25/h4-9,11-14,24,27-31H,10,15-23,38H2,1-3H3,(H2,39,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)/t27-,28?,29-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/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