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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50001438'   
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-K receptor


(HAMSTER)		BDBM50001438
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C36H60N8O9/c1-20(2)13-24(18-44(7)28(32(38)49)14-21(3)4)40-29(46)17-39-36(53)31(22(5)6)43-34(51)26(15-23-11-9-8-10-12-23)41-35(52)27(19-45)42-33(50)25(37)16-30(47)48/h8-12,20-22,24-28,31,45H,13-19,37H2,1-7H3,(H2,38,49)(H,39,53)(H,40,46)(H,41,52)(H,42,50)(H,43,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 193n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2

J Med Chem 35: 3949-55 (1992)


BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair