BDBM50441919 CHEMBL2437301

SMILES: N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1

InChI Key: InChIKey=BPAPVVZKFSFVIH-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 = 50441919   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50441919 (CHEMBL2437301) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1 Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2	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	6.22E+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 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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50441919 (CHEMBL2437301) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1 Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.65E+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))	BDBM50441919 (CHEMBL2437301) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1 Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2	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	1.38E+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 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))	BDBM50441919 (CHEMBL2437301) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1 Show InChI InChI=1S/C15H17N3O2S/c16-15-18(10-14(19)17-6-8-20-9-7-17)13(11-21-15)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+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 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