BDBM50100469 CHEMBL303342::N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(3-methoxy-naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-3,5-dimethoxy-benzamide

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12

InChI Key: InChIKey=DIZLBTSEQRWCAD-VLVHCFGSSA-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 = 50100469   

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))	BDBM50100469 (CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12 Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/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	7.00E+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
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50100469 (CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12 Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/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)	BDBM50100469 (CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12 Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/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))	BDBM50100469 (CHEMBL303342 | N-(4-Hydroxy-5-hydroxymethyl-2-{6-[...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cc(OC)cc4ccccc34)ncnc12 Show InChI InChI=1S/C31H32N6O7/c1-41-20-8-17-6-4-5-7-23(17)19(11-20)13-32-28-26-29(34-15-33-28)37(16-35-26)31-25(27(39)24(14-38)44-31)36-30(40)18-9-21(42-2)12-22(10-18)43-3/h4-12,15-16,24-25,27,31,38-39H,13-14H2,1-3H3,(H,36,40)(H,32,33,34)/t24-,25-,27-,31-/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 brucei GAPDH.				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair