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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50229589'   
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-P receptor


(Rattus norvegicus (rat))
BDBM50229589
PNG
(Arg-Pro-Lys-Pro-Ala-Gln-Phe-Phe-Gly-Leu-Met-NH2 | ...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C61H95N17O12S/c1-36(2)32-44(55(85)72-41(51(65)81)26-31-91-4)71-50(80)35-69-53(83)45(33-38-16-7-5-8-17-38)75-56(86)46(34-39-18-9-6-10-19-39)76-54(84)42(24-25-49(64)79)73-52(82)37(3)70-57(87)47-22-15-30-78(47)60(90)43(21-11-12-27-62)74-58(88)48-23-14-29-77(48)59(89)40(63)20-13-28-68-61(66)67/h5-10,16-19,36-37,40-48H,11-15,20-35,62-63H2,1-4H3,(H2,64,79)(H2,65,81)(H,69,83)(H,70,87)(H,71,80)(H,72,85)(H,73,82)(H,74,88)(H,75,86)(H,76,84)(H4,66,67,68)/t37-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Mississippi State University

Curated by ChEMBL


Assay Description
Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells


J Med Chem 50: 6501-6 (2007)


Article DOI: 10.1021/jm070577s
BindingDB Entry DOI: 10.7270/Q2RX9BT2
More data for this
Ligand-Target Pair