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SMILES: OP(O)(=O)C(CNC12CC3CC(CC(C3)C1)C2)P(O)(O)=O

InChI Key: InChIKey=ZKNGQQAWMSTLOO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173774   
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
H(+)-exporting diphosphatase


(Trypanosoma brucei)		BDBM50173774
PNG
(CHEMBL371673 | [2-(Adamantan-1-ylamino)-1-phosphon...)
Show SMILES OP(O)(=O)C(CNC12CC3CC(CC(C3)C1)C2)P(O)(O)=O |TLB:10:11:15:9.8.14,THB:10:9:15:11.16.12,12:11:8:13.15.14,12:13:8:11.16.10|
Show InChI InChI=1S/C12H23NO6P2/c14-20(15,16)11(21(17,18)19)7-13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,13H,1-7H2,(H2,14,15,16)(H2,17,18,19)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli

J Med Chem 48: 6128-39 (2005)


Article DOI: 10.1021/jm058220g
BindingDB Entry DOI: 10.7270/Q2F47PX2
More data for this
Ligand-Target Pair