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BDBM50288569 CHEMBL102569::{(2R,4S)-2-(4-Chloro-benzyl)-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone

SMILES: Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NCc1ccnc2ccccc12

InChI Key: InChIKey=ZMPABVVPVGDMMD-WUFINQPMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50288569
PNG
(CHEMBL102569 | {(2R,4S)-2-(4-Chloro-benzyl)-4-[(qu...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc(Cl)cc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C31H32ClN3O/c1-21-15-22(2)17-25(16-21)31(36)35-14-12-27(19-28(35)18-23-7-9-26(32)10-8-23)34-20-24-11-13-33-30-6-4-3-5-29(24)30/h3-11,13,15-17,27-28,34H,12,14,18-20H2,1-2H3/t27-,28+/m0/s1
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MMDB

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Similars

Article
n/an/a 13n/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