BDBM50389868 CHEMBL2070857::US9011882, Table 1, Compound 16

SMILES: CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O

InChI Key: InChIKey=QGMSIJGXYGMNNQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50389868   

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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50389868 (CHEMBL2070857 | US9011882, Table 1, Compound 16) Show SMILES CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Milwaukee Curated by ChEMBL					Assay Description Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 after 3 hrs by fluorescence polarization assay				J Med Chem 55: 4640-51 (2012) Article DOI: 10.1021/jm300460c BindingDB Entry DOI: 10.7270/Q2HD7WRP
					More data for this Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM50389868 (CHEMBL2070857 | US9011882, Table 1, Compound 16) Show SMILES CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...				US Patent US9011882 (2015) BindingDB Entry DOI: 10.7270/Q2W957XP
					More data for this Ligand-Target Pair