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BDBM50417975 CHEMBL1672057

SMILES: C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)NC1CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=VPSGABLRZGFPPI-CFJRQAHESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417975   
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
Neurokinin 1 receptor


(Homo sapiens (Human))		BDBM50417975
PNG
(CHEMBL1672057)
Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)NC1CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H30F7N3O/c1-15-10-20(28)4-7-23(15)24-14-22(35-21-5-6-21)8-9-37(24)25(38)36(3)16(2)17-11-18(26(29,30)31)13-19(12-17)27(32,33)34/h4,7,10-13,16,21-22,24,35H,5-6,8-9,14H2,1-3H3/t16-,22+,24-/m1/s1
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Similars
Article
PubMed
 0.324n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair