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BDBM50287423 CHEMBL43394::{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dihydroxy-phenyl)-methanone

SMILES: Oc1cc(O)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12

InChI Key: InChIKey=DOXKBIISJMVOAL-BJKOFHAPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287423   
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))
BDBM50287423
PNG
(CHEMBL43394 | {(2R,4S)-2-Benzyl-4-[(quinolin-4-ylm...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N1CC[C@@H](C[C@H]1Cc1ccccc1)NCc1ccnc2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-25-15-22(16-26(34)18-25)29(35)32-13-11-23(17-24(32)14-20-6-2-1-3-7-20)31-19-21-10-12-30-28-9-5-4-8-27(21)28/h1-10,12,15-16,18,23-24,31,33-34H,11,13-14,17,19H2/t23-,24+/m0/s1
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Article
n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina


Bioorg Med Chem Lett 6: 1623-1628 (1996)


Article DOI: 10.1016/0960-894X(96)00287-9
BindingDB Entry DOI: 10.7270/Q2N016GN
More data for this
Ligand-Target Pair