BDBM24691 2-[(4-{2-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]-1,3-dithian-2-yl}phenyl)formamido]pentanedioic acid::C10 substituted dithiane, 9

SMILES: Nc1nc(N)c(CCCC2(SCCCS2)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1

InChI Key: InChIKey=QWVPZTYSIMAXEN-UHFFFAOYSA-N

Data: 2 KI

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 = 24691   

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
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human))	BDBM24691 (2-[(4-{2-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidi...) Show SMILES Nc1nc(N)c(CCCC2(SCCCS2)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C23H29N5O6S2/c24-18-15(20(32)28-22(25)27-18)3-1-10-23(35-11-2-12-36-23)14-6-4-13(5-7-14)19(31)26-16(21(33)34)8-9-17(29)30/h4-7,16H,1-3,8-12H2,(H,26,31)(H,29,30)(H,33,34)(H5,24,25,27,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-8.15	n/a	n/a	n/a	n/a	n/a	7.5	26
The Scripps Research Institute					Assay Description Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the defor...				J Med Chem 51: 5441-8 (2008) Article DOI: 10.1021/jm800555h BindingDB Entry DOI: 10.7270/Q2WD3XVB
					More data for this Ligand-Target Pair
AICAR Tfase (Homo sapiens (Human))	BDBM24691 (2-[(4-{2-[3-(2,4-diamino-6-oxo-1,6-dihydropyrimidi...) Show SMILES Nc1nc(N)c(CCCC2(SCCCS2)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 Show InChI InChI=1S/C23H29N5O6S2/c24-18-15(20(32)28-22(25)27-18)3-1-10-23(35-11-2-12-36-23)14-6-4-13(5-7-14)19(31)26-16(21(33)34)8-9-17(29)30/h4-7,16H,1-3,8-12H2,(H,26,31)(H,29,30)(H,33,34)(H5,24,25,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-6.43	n/a	n/a	n/a	n/a	n/a	7.4	26
The Scripps Research Institute					Assay Description Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...				J Med Chem 51: 5441-8 (2008) Article DOI: 10.1021/jm800555h BindingDB Entry DOI: 10.7270/Q2WD3XVB
					More data for this Ligand-Target Pair