BDBM50100483 CHEMBL63338::N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-2-ylmethyl)-amino]-purin-9-ylmethyl}-tetrahydro-furan-3-yl)-3,5-dimethoxy-benzamide

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O

InChI Key: InChIKey=PHBUAOMRKKWEIS-FSTJIPRJSA-N

Data: 4 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 4 hits for monomerid = 50100483   

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
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50100483 (CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description In vitro inhibition of rabbit muscle GAPDH.				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase cytosolic (Leishmania mexicana)	BDBM50100483 (CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory activity against Leishmania mexicana GAPDH				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50100483 (CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description In vitro inhibition of Trypanosoma brucei GAPDH.				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50100483 (CHEMBL63338 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(NCc4ccc5ccccc5c4)ncnc23)OC(CO)[C@@H]1O Show InChI InChI=1S/C31H32N6O6/c1-41-22-10-21(11-23(12-22)42-2)31(40)36-26-24(43-25(15-38)28(26)39)14-37-17-35-27-29(33-16-34-30(27)37)32-13-18-7-8-19-5-3-4-6-20(19)9-18/h3-12,16-17,24-26,28,38-39H,13-15H2,1-2H3,(H,36,40)(H,32,33,34)/t24?,25?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description In vitro inhibition of Trypanosoma cruzi GAPDH.				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair