BDBM50100476 3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-benzamide::CHEMBL294813

SMILES: OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12

InChI Key: InChIKey=LYWIXWCSWJSYAM-XABBOIKWSA-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 = 50100476   

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))	BDBM50100476 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O4/c29-18-8-17(9-19(30)10-18)27(39)35-22-24(38)21(12-37)40-28(22)36-14-34-23-25(32-13-33-26(23)36)31-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,37-38H,11-12H2,(H,35,39)(H,31,32,33)/t21-,22-,24-,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	7.50E+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 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 cytosolic (Leishmania mexicana)	BDBM50100476 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O4/c29-18-8-17(9-19(30)10-18)27(39)35-22-24(38)21(12-37)40-28(22)36-14-34-23-25(32-13-33-26(23)36)31-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,37-38H,11-12H2,(H,35,39)(H,31,32,33)/t21-,22-,24-,28-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	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))	BDBM50100476 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O4/c29-18-8-17(9-19(30)10-18)27(39)35-22-24(38)21(12-37)40-28(22)36-14-34-23-25(32-13-33-26(23)36)31-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,37-38H,11-12H2,(H,35,39)(H,31,32,33)/t21-,22-,24-,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+5	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))	BDBM50100476 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(n...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O4/c29-18-8-17(9-19(30)10-18)27(39)35-22-24(38)21(12-37)40-28(22)36-14-34-23-25(32-13-33-26(23)36)31-11-16-6-3-5-15-4-1-2-7-20(15)16/h1-10,13-14,21-22,24,28,37-38H,11-12H2,(H,35,39)(H,31,32,33)/t21-,22-,24-,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