BDBM50173780 (2-Adamantan-1-yl-1-hydroxy-1-phosphono-ethyl)-phosphonic acid::CHEMBL199206

SMILES: OC(CC12CC3CC(CC(C3)C1)C2)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=ICYNSVBEDPIFIU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50173780   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Hexokinase (Trypanosoma cruzi)	BDBM50173780 ((2-Adamantan-1-yl-1-hydroxy-1-phosphono-ethyl)-pho...) Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)(P(O)(O)=O)P(O)(O)=O |TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:7:4:9.11.10,8:9:4:7.12.6| Show InChI InChI=1S/C12H22O7P2/c13-12(20(14,15)16,21(17,18)19)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,14,15,16)(H2,17,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.31E+12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi hexokinase				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50173780 ((2-Adamantan-1-yl-1-hydroxy-1-phosphono-ethyl)-pho...) Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)(P(O)(O)=O)P(O)(O)=O |TLB:10:9:12:5.4.6,10:5:12:9.11.8,THB:8:7:4:9.11.10,8:9:4:7.12.6| Show InChI InChI=1S/C12H22O7P2/c13-12(20(14,15)16,21(17,18)19)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,13H,1-7H2,(H2,14,15,16)(H2,17,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/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