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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 = 'BDBM50000233'   
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


(Homo sapiens (Human))
BDBM50000233
PNG
(CHEMBL136360)
Show SMILES Cc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C22H24F6N2O/c1-15-3-2-4-17(9-15)20(30-7-5-29-6-8-30)14-31-13-16-10-18(21(23,24)25)12-19(11-16)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 13: 437-42 (2003)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0
More data for this
Ligand-Target Pair