BDBM50441108 CHEMBL2430723

SMILES: CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=NRUYOXKOMBELMP-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 = 50441108   

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
L-lactate dehydrogenase B chain (Homo sapiens (Human))	BDBM50441108 (CHEMBL2430723) Show SMILES CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C20H20N4O2/c1-13(14-7-4-3-5-8-14)23-19-18(21-2)22-12-17(24-19)15-9-6-10-16(11-15)20(25)26/h3-13H,1-2H3,(H,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441108 (CHEMBL2430723) Show SMILES CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C20H20N4O2/c1-13(14-7-4-3-5-8-14)23-19-18(21-2)22-12-17(24-19)15-9-6-10-16(11-15)20(25)26/h3-13H,1-2H3,(H,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50441108 (CHEMBL2430723) Show SMILES CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C20H20N4O2/c1-13(14-7-4-3-5-8-14)23-19-18(21-2)22-12-17(24-19)15-9-6-10-16(11-15)20(25)26/h3-13H,1-2H3,(H,21,22)(H,23,24)(H,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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