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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 = 'BDBM50001453'   
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)		BDBM50001453
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCN(C[C@H](CC(C)C)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)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 277n/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