BDBM50029093 CHEMBL3343303

SMILES: Nc1c(OCCCO)cccc1OCc1cc(on1)-c1ccc(Cl)s1

InChI Key: InChIKey=VDLIHPNLMSFXEE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50029093   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50029093 (CHEMBL3343303) Show SMILES Nc1c(OCCCO)cccc1OCc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C17H17ClN2O4S/c18-16-6-5-15(25-16)14-9-11(20-24-14)10-23-13-4-1-3-12(17(13)19)22-8-2-7-21/h1,3-6,9,21H,2,7-8,10,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche Curated by ChEMBL					Assay Description Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Cheng-Prusoff equation analysis				J Med Chem 57: 8563-75 (2014) Article DOI: 10.1021/jm5010754 BindingDB Entry DOI: 10.7270/Q2GT5PSQ
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50029093 (CHEMBL3343303) Show SMILES Nc1c(OCCCO)cccc1OCc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C17H17ClN2O4S/c18-16-6-5-15(25-16)14-9-11(20-24-14)10-23-13-4-1-3-12(17(13)19)22-8-2-7-21/h1,3-6,9,21H,2,7-8,10,19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consiglio Nazionale delle Ricerche Curated by ChEMBL					Assay Description Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Cheng-Prusoff equation analysis				J Med Chem 57: 8563-75 (2014) Article DOI: 10.1021/jm5010754 BindingDB Entry DOI: 10.7270/Q2GT5PSQ
					More data for this Ligand-Target Pair