BDBM50387290 CHEMBL2048855

SMILES: Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1

InChI Key: InChIKey=DPONSKCACOZTGN-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 = 50387290   

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
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50387290 (CHEMBL2048855) Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 22: 4532-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.126 BindingDB Entry DOI: 10.7270/Q26T0NQ1
					More data for this Ligand-Target Pair