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BDBM50030431 CHEMBL176500::N-[(S)-4-(3,5-Bis-trifluoromethyl-phenyl)-1-(1H-indol-3-ylmethyl)-2-oxo-butyl]-4-pyrrolidin-1-yl-butyramide

SMILES: FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCCC2)cc(c1)C(F)(F)F

InChI Key: InChIKey=IJFWWOVMXWFJDI-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030431   
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))		BDBM50030431
PNG
(CHEMBL176500 | N-[(S)-4-(3,5-Bis-trifluoromethyl-p...)
Show SMILES FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F6N3O2/c30-28(31,32)21-14-19(15-22(17-21)29(33,34)35)9-10-26(39)25(16-20-18-36-24-7-2-1-6-23(20)24)37-27(40)8-5-13-38-11-3-4-12-38/h1-2,6-7,14-15,17-18,25,36H,3-5,8-13,16H2,(H,37,40)/t25-/m0/s1
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PC cid
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Similars
PubMed
n/an/a 0.300n/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