BDBM50441114 CHEMBL2430715

SMILES: C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1

InChI Key: InChIKey=PZNIRCZONXUEPF-GFCCVEGCSA-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 = 50441114   

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))	BDBM50441114 (CHEMBL2430715) Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50441114 (CHEMBL2430715) Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50441114 (CHEMBL2430715) Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C19H17N3O3/c1-12(13-6-3-2-4-7-13)25-18-17(20)21-11-16(22-18)14-8-5-9-15(10-14)19(23)24/h2-12H,1H3,(H2,20,21)(H,23,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	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