BDBM50440849 CHEMBL2431588

SMILES: CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=TZTGDSJKKVVPPS-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 = 50440849   

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 VII (Homo sapiens (Human))	BDBM50440849 (CHEMBL2431588) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 factor 7a				Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP
					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50440849 (CHEMBL2431588) Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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