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BDBM50288563 (3,5-Dimethyl-phenyl)-{(2R,4S)-2-naphthalen-2-ylmethyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-methanone::CHEMBL105201

SMILES: Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc2ccccc2c1)NCc1ccnc2ccccc12

InChI Key: InChIKey=LEKNVQXTSOHTEK-AJQTZOPKSA-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 = 50288563   
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))
BDBM50288563
PNG
((3,5-Dimethyl-phenyl)-{(2R,4S)-2-naphthalen-2-ylme...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccc2ccccc2c1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C35H35N3O/c1-24-17-25(2)19-30(18-24)35(39)38-16-14-31(37-23-29-13-15-36-34-10-6-5-9-33(29)34)22-32(38)21-26-11-12-27-7-3-4-8-28(27)20-26/h3-13,15,17-20,31-32,37H,14,16,21-23H2,1-2H3/t31-,32+/m0/s1
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MMDB

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Similars

Article
n/an/a 14n/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