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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 = 'BDBM50030152'   
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


(Rattus norvegicus (Rat))		BDBM50030152
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Flg-Phe-Gly-Leu-Met | CHEM...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](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)C1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H100N18O13S/c1-39(2)36-50(63(95)80-46(59(74)91)30-35-101-3)79-56(90)38-78-60(92)51(37-40-16-5-4-6-17-40)84-66(98)58(57-43-20-9-7-18-41(43)42-19-8-10-21-44(42)57)85-62(94)48(27-29-55(73)89)81-61(93)47(26-28-54(72)88)82-64(96)53-25-15-34-87(53)68(100)49(23-11-12-31-70)83-65(97)52-24-14-33-86(52)67(99)45(71)22-13-32-77-69(75)76/h4-10,16-21,39,45-53,57-58H,11-15,22-38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1
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Similars
PubMed
n/an/a 690n/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)


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