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SMILES: FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cnc[nH]2)cc(c1)C(F)(F)F

InChI Key: InChIKey=SRUVIRMFXGIZDE-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030443   
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))		BDBM50030443
PNG
(CHEMBL173564 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...)
Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cnc[nH]2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H22F6N4O2/c27-25(28,29)17-7-15(8-18(10-17)26(30,31)32)5-6-23(37)22(36-24(38)11-19-13-33-14-35-19)9-16-12-34-21-4-2-1-3-20(16)21/h1-4,7-8,10,12-14,22,34H,5-6,9,11H2,(H,33,35)(H,36,38)/t22-/m0/s1
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PubMed
n/an/a 3.80n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.

J Med Chem 38: 934-41 (1995)


BindingDB Entry DOI: 10.7270/Q2R78D8F
More data for this
Ligand-Target Pair