BDBM50441910 CHEMBL2437293

SMILES: N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=FFEHZWWAKZFKGK-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 = 50441910   

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))	BDBM50441910 (CHEMBL2437293) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	643	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
Thymidylate synthase (Homo sapiens (Human))	BDBM50441910 (CHEMBL2437293) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2	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	1.36E+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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50441910 (CHEMBL2437293) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50441910 (CHEMBL2437293) Show SMILES N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2	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	1.73E+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