BDBM50440845 CHEMBL2431611

SMILES: CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(C)(=O)=O

InChI Key: InChIKey=ZDPIURLELGMDQA-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 = 50440845   

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 III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50440845 (CHEMBL2431611) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C29H31N3O7S2/c1-5-38-25-17-21(11-13-24(25)39-19(2)3)28(31-23-12-10-22-18-30-15-14-20(22)16-23)29(33)32-41(36,37)27-9-7-6-8-26(27)40(4,34)35/h6-19,28,31H,5H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate				Bioorg Med Chem Lett 23: 5244-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.027 BindingDB Entry DOI: 10.7270/Q2S46TDQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50440845 (CHEMBL2431611) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C29H31N3O7S2/c1-5-38-25-17-21(11-13-24(25)39-19(2)3)28(31-23-12-10-22-18-30-15-14-20(22)16-23)29(33)32-41(36,37)27-9-7-6-8-26(27)40(4,34)35/h6-19,28,31H,5H2,1-4H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 23: 5244-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.027 BindingDB Entry DOI: 10.7270/Q2S46TDQ
					More data for this Ligand-Target Pair