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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 = 'BDBM50288566'   
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))
BDBM50288566
PNG
(CHEMBL105560 | {(2R,4S)-2-(3,4-Dichloro-benzyl)-4-...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)c(Cl)c1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H31Cl2N3O/c1-20-13-21(2)15-24(14-20)31(37)36-12-10-25(18-26(36)16-22-7-8-28(32)29(33)17-22)35-19-23-9-11-34-30-6-4-3-5-27(23)30/h3-9,11,13-15,17,25-26,35H,10,12,16,18-19H2,1-2H3/t25-,26+/m0/s1
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Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against NK1 receptor by displacement of [3H]-SP from bovine retina membranes


Bioorg Med Chem Lett 6: 3029-3034 (1996)


Article DOI: 10.1016/S0960-894X(96)00563-X
BindingDB Entry DOI: 10.7270/Q22N5283
More data for this
Ligand-Target Pair