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SMILES: FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CC(=O)NCc3ccncc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=HHQNKWBPRLOSPW-BUALBWRZSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284634   
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))		BDBM50284634
PNG
(2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CC(=O)NCc3ccncc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N2O2/c30-28(31,32)23-13-20(14-24(16-23)29(33,34)35)18-39-25-8-4-7-22(27(25)21-5-2-1-3-6-21)15-26(38)37-17-19-9-11-36-12-10-19/h1-3,5-6,9-14,16,22,25,27H,4,7-8,15,17-18H2,(H,37,38)/t22-,25+,27-/m1/s1
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Article
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells

Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair