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SMILES: CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XCZYDSYUGXBLRG-BHVANESWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281189   
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))		BDBM50281189
PNG
((S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentyl...)
Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H56N6O4/c1-5-7-17-26-43(27-18-8-6-2)39(48)44-29-30-45(40(49)46(34-20-11-9-12-21-34)35-22-13-10-14-23-35)36(32-44)38(47)41-25-28-42(3)31-33-19-15-16-24-37(33)50-4/h9-16,19-24,36H,5-8,17-18,25-32H2,1-4H3,(H,41,47)/t36-/m0/s1
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MMDB

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Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells

Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
More data for this
Ligand-Target Pair