BDBM50230346 CHEMBL4069286

SMILES: Clc1cccc(c1)C(=O)C(=S)N1CCOCC1

InChI Key: InChIKey=KAVRIXXAAAPKPP-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50230346   

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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230346 (CHEMBL4069286) Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1 Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation...				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230346 (CHEMBL4069286) Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1 Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230346 (CHEMBL4069286) Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1 Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50230346 (CHEMBL4069286) Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1 Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair
Phosphoglycerate dehydrogenase (PHGDH) (Homo sapiens (Human))	BDBM50230346 (CHEMBL4069286) Show SMILES Clc1cccc(c1)C(=O)C(=S)N1CCOCC1 Show InChI InChI=1S/C12H12ClNO2S/c13-10-3-1-2-9(8-10)11(15)12(17)14-4-6-16-7-5-14/h1-3,8H,4-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay				J Med Chem 60: 1591-1597 (2017) BindingDB Entry DOI: 10.7270/Q21N83CP
					More data for this Ligand-Target Pair