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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TACR2' and Ligand = 'BDBM50030146'   
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


(mouse)
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)


Article DOI: 10.1021/jm00037a009
BindingDB Entry DOI: 10.7270/Q2571CN1
More data for this
Ligand-Target Pair