BDBM50397815 CHEMBL2177862

SMILES: Cc1cc(N)n2nc(SCc3ccccc3)nc2n1

InChI Key: InChIKey=YADKEMSSYKJABZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50397815   

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
Dihydroorotate dehydrogenase (Homo sapiens (Human))	BDBM50397815 (CHEMBL2177862) Show SMILES Cc1cc(N)n2nc(SCc3ccccc3)nc2n1 Show InChI InChI=1S/C13H13N5S/c1-9-7-11(14)18-12(15-9)16-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3	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
University of Leeds Curated by ChEMBL					Assay Description Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...				J Med Chem 55: 5841-50 (2012) Article DOI: 10.1021/jm300157n BindingDB Entry DOI: 10.7270/Q2HT2QG8
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50397815 (CHEMBL2177862) Show SMILES Cc1cc(N)n2nc(SCc3ccccc3)nc2n1 Show InChI InChI=1S/C13H13N5S/c1-9-7-11(14)18-12(15-9)16-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as substrate by fluorescence assay				Eur J Med Chem 166: 432-444 (2019) Article DOI: 10.1016/j.ejmech.2019.01.075
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50397815 (CHEMBL2177862) Show SMILES Cc1cc(N)n2nc(SCc3ccccc3)nc2n1 Show InChI InChI=1S/C13H13N5S/c1-9-7-11(14)18-12(15-9)16-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate by amplex red and horseradish peroxida...				Eur J Med Chem 167: 388-401 (2019) Article DOI: 10.1016/j.ejmech.2019.02.039
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50397815 (CHEMBL2177862) Show SMILES Cc1cc(N)n2nc(SCc3ccccc3)nc2n1 Show InChI InChI=1S/C13H13N5S/c1-9-7-11(14)18-12(15-9)16-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Dissociation constant against galectin-3 using competitive fluorescence polarization				Eur J Med Chem 125: 940-951 (2017) Article DOI: 10.1016/j.ejmech.2016.10.021 BindingDB Entry DOI: 10.7270/Q2ZC8597
					More data for this Ligand-Target Pair