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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 = 'BDBM50001455'   
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)		BDBM50001455
PNG
(3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-2-phenyl-et...)
Show SMILES CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CCNC(=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/C39H58N8O9/c1-23(2)17-27(21-43-29(35(41)52)18-25-11-7-5-8-12-25)44-32(49)15-16-42-39(56)34(24(3)4)47-37(54)30(19-26-13-9-6-10-14-26)45-38(55)31(22-48)46-36(53)28(40)20-33(50)51/h5-14,23-24,27-31,34,43,48H,15-22,40H2,1-4H3,(H2,41,52)(H,42,56)(H,44,49)(H,45,55)(H,46,53)(H,47,54)(H,50,51)/t27-,28-,29-,30-,31-,34-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 10n/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