BDBM50040093 CHEMBL3359438

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1

InChI Key: InChIKey=RBPDUTMGGGWCRQ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50040093   

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 A (LDHA) (Homo sapiens (Human))	BDBM50040093 (CHEMBL3359438) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1 |c:1| Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 24: 5683-7 (2014) Article DOI: 10.1016/j.bmcl.2014.10.067 BindingDB Entry DOI: 10.7270/Q23J3FK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50040093 (CHEMBL3359438) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1 |c:1| Show InChI InChI=1S/C19H15ClO3S/c20-14-7-3-4-8-16(14)24-17-15(21)11-19(23-18(17)22)10-9-12-5-1-2-6-13(12)19/h1-8,21H,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 24: 5683-7 (2014) Article DOI: 10.1016/j.bmcl.2014.10.067 BindingDB Entry DOI: 10.7270/Q23J3FK6
					More data for this Ligand-Target Pair				3D Structure (crystal)