BDBM50440841 CHEMBL2431598

SMILES: CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)C(N)=O

InChI Key: InChIKey=XMYBUOHBAIWKLS-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 = 50440841   

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))	BDBM50440841 (CHEMBL2431598) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)C(N)=O Show InChI InChI=1S/C29H31N5O6S/c1-4-39-25-16-19(8-11-24(25)40-17(2)3)26(33-21-9-10-23-18(14-21)12-13-32-27(23)30)29(36)34-41(37,38)22-7-5-6-20(15-22)28(31)35/h5-17,26,33H,4H2,1-3H3,(H2,30,32)(H2,31,35)(H,34,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50440841 (CHEMBL2431598) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc2c(N)nccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)C(N)=O Show InChI InChI=1S/C29H31N5O6S/c1-4-39-25-16-19(8-11-24(25)40-17(2)3)26(33-21-9-10-23-18(14-21)12-13-32-27(23)30)29(36)34-41(37,38)22-7-5-6-20(15-22)28(31)35/h5-17,26,33H,4H2,1-3H3,(H2,30,32)(H2,31,35)(H,34,36)	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