BDBM50100467 3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3-methoxy-naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-benzamide::CHEMBL64311

SMILES: COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1

InChI Key: InChIKey=VRFZSNJOQMAMEN-BYHVZLFPSA-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 = 50100467   

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 cytosolic (Leishmania mexicana)	BDBM50100467 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1 Show InChI InChI=1S/C29H26Cl2N6O5/c1-41-20-8-15-4-2-3-5-21(15)17(9-20)11-32-26-24-27(34-13-33-26)37(14-35-24)29-23(25(39)22(12-38)42-29)36-28(40)16-6-18(30)10-19(31)7-16/h2-10,13-14,22-23,25,29,38-39H,11-12H2,1H3,(H,36,40)(H,32,33,34)/t22-,23-,25-,29-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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))	BDBM50100467 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1 Show InChI InChI=1S/C29H26Cl2N6O5/c1-41-20-8-15-4-2-3-5-21(15)17(9-20)11-32-26-24-27(34-13-33-26)37(14-35-24)29-23(25(39)22(12-38)42-29)36-28(40)16-6-18(30)10-19(31)7-16/h2-10,13-14,22-23,25,29,38-39H,11-12H2,1H3,(H,36,40)(H,32,33,34)/t22-,23-,25-,29-/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 liver (Homo sapiens (Human))	BDBM50100467 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1 Show InChI InChI=1S/C29H26Cl2N6O5/c1-41-20-8-15-4-2-3-5-21(15)17(9-20)11-32-26-24-27(34-13-33-26)37(14-35-24)29-23(25(39)22(12-38)42-29)36-28(40)16-6-18(30)10-19(31)7-16/h2-10,13-14,22-23,25,29,38-39H,11-12H2,1H3,(H,36,40)(H,32,33,34)/t22-,23-,25-,29-/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	4.00E+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 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))	BDBM50100467 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2cc(Cl)cc(Cl)c2)c2ccccc2c1 Show InChI InChI=1S/C29H26Cl2N6O5/c1-41-20-8-15-4-2-3-5-21(15)17(9-20)11-32-26-24-27(34-13-33-26)37(14-35-24)29-23(25(39)22(12-38)42-29)36-28(40)16-6-18(30)10-19(31)7-16/h2-10,13-14,22-23,25,29,38-39H,11-12H2,1H3,(H,36,40)(H,32,33,34)/t22-,23-,25-,29-/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	4.50E+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 brucei GAPDH.				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
					More data for this Ligand-Target Pair