BDBM50441913 CHEMBL2437297

SMILES: CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1

InChI Key: InChIKey=UJTCLCSSFRMSEH-UHFFFAOYSA-N

Data: 4 KI

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 = 50441913   

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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50441913 (CHEMBL2437297) Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of human leukotriene A-4 hydrolase				Eur J Med Chem 69: 908-19 (2013) Article DOI: 10.1016/j.ejmech.2013.08.021 BindingDB Entry DOI: 10.7270/Q2TM7CJN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50441913 (CHEMBL2437297) Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of human MAPK1				Eur J Med Chem 69: 908-19 (2013) Article DOI: 10.1016/j.ejmech.2013.08.021 BindingDB Entry DOI: 10.7270/Q2TM7CJN
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50441913 (CHEMBL2437297) Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of human vitamin D3 receptor				Eur J Med Chem 69: 908-19 (2013) Article DOI: 10.1016/j.ejmech.2013.08.021 BindingDB Entry DOI: 10.7270/Q2TM7CJN
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50441913 (CHEMBL2437297) Show SMILES CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1 Show InChI InChI=1S/C17H20N4O2S/c1-13(22)19-7-9-20(10-8-19)16(23)11-21-15(12-24-17(21)18)14-5-3-2-4-6-14/h2-6,12,18H,7-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mansoura Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				Eur J Med Chem 69: 908-19 (2013) Article DOI: 10.1016/j.ejmech.2013.08.021 BindingDB Entry DOI: 10.7270/Q2TM7CJN
					More data for this Ligand-Target Pair