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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TACR2' and Ligand = 'BDBM50001440'   
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
TACR2


(HAMSTER)
BDBM50001440
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methylsulf...)
Show SMILES CSCC[C@H](NC[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(N)=O
Show InChI InChI=1S/C34H56N8O9S/c1-19(2)13-22(16-37-24(30(36)47)11-12-52-5)39-27(44)17-38-34(51)29(20(3)4)42-32(49)25(14-21-9-7-6-8-10-21)40-33(50)26(18-43)41-31(48)23(35)15-28(45)46/h6-10,19-20,22-26,29,37,43H,11-18,35H2,1-5H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,50)(H,41,48)(H,42,49)(H,45,46)/t22-,23-,24-,25-,26-,29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair