BDBM50100481 3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3-hydroxy-naphthalen-1-ylmethyl)-amino]-9H-purin-3-ylmethyl}-tetrahydro-furan-3-yl)-benzamide::CHEMBL291088

SMILES: OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12

InChI Key: InChIKey=YXQWYHVONJXOHK-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 = 50100481   

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))	BDBM50100481 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O5/c29-17-5-15(6-18(30)9-17)27(40)35-22-24(39)21(11-37)41-28(22)36-13-34-23-25(32-12-33-26(23)36)31-10-16-8-19(38)7-14-3-1-2-4-20(14)16/h1-9,12-13,21-22,24,28,37-39H,10-11H2,(H,35,40)(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
Glyceraldehyde-3-phosphate dehydrogenase cytosolic (Leishmania mexicana)	BDBM50100481 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O5/c29-17-5-15(6-18(30)9-17)27(40)35-22-24(39)21(11-37)41-28(22)36-13-34-23-25(32-12-33-26(23)36)31-10-16-8-19(38)7-14-3-1-2-4-20(14)16/h1-9,12-13,21-22,24,28,37-39H,10-11H2,(H,35,40)(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	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))	BDBM50100481 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O5/c29-17-5-15(6-18(30)9-17)27(40)35-22-24(39)21(11-37)41-28(22)36-13-34-23-25(32-12-33-26(23)36)31-10-16-8-19(38)7-14-3-1-2-4-20(14)16/h1-9,12-13,21-22,24,28,37-39H,10-11H2,(H,35,40)(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	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))	BDBM50100481 (3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(3...) Show SMILES OC[C@H]1O[C@H]([C@H](NC(=O)c2cc(Cl)cc(Cl)c2)[C@@H]1O)n1cnc2c(NCc3cc(O)cc4ccccc34)ncnc12 Show InChI InChI=1S/C28H24Cl2N6O5/c29-17-5-15(6-18(30)9-17)27(40)35-22-24(39)21(11-37)41-28(22)36-13-34-23-25(32-12-33-26(23)36)31-10-16-8-19(38)7-14-3-1-2-4-20(14)16/h1-9,12-13,21-22,24,28,37-39H,10-11H2,(H,35,40)(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	5.50E+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