BDBM50441116 CHEMBL2430736

SMILES: Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=BHODNZGDUOGUGS-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50441116   

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
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50441116 (CHEMBL2430736) Show SMILES Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H16N4O2/c19-16-17(21-10-12-5-2-1-3-6-12)22-15(11-20-16)13-7-4-8-14(9-13)18(23)24/h1-9,11H,10H2,(H2,19,20)(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as dis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50441116 (CHEMBL2430736) Show SMILES Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H16N4O2/c19-16-17(21-10-12-5-2-1-3-6-12)22-15(11-20-16)13-7-4-8-14(9-13)18(23)24/h1-9,11H,10H2,(H2,19,20)(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate assessed as dis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50441116 (CHEMBL2430736) Show SMILES Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H16N4O2/c19-16-17(21-10-12-5-2-1-3-6-12)22-15(11-20-16)13-7-4-8-14(9-13)18(23)24/h1-9,11H,10H2,(H2,19,20)(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 5533-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.060 BindingDB Entry DOI: 10.7270/Q2668FM1
					More data for this Ligand-Target Pair