BDBM50441122 CHEMBL2430730

SMILES: C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1

InChI Key: InChIKey=HDOMNNGFFVOCRA-CYBMUJFWSA-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 = 50441122   

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))	BDBM50441122 (CHEMBL2430730) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2/c1-12-8-9-15(10-16(12)20(25)26)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	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	4.00E+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))	BDBM50441122 (CHEMBL2430730) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2/c1-12-8-9-15(10-16(12)20(25)26)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	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	1.50E+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))	BDBM50441122 (CHEMBL2430730) Show SMILES C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O2/c1-12-8-9-15(10-16(12)20(25)26)17-11-22-18(21)19(24-17)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H2,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	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	2.90E+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