BDBM50358260 CHEMBL1922228

SMILES: COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1

InChI Key: InChIKey=IVAAOBDQWJWBPB-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 = 50358260   

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))	BDBM50358260 (CHEMBL1922228) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-8-20(9-13-22)26(32)29-25-7-4-3-6-24(25)27(33)28-21-10-14-23(34-2)15-11-21/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,33)(H,29,32)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis				J Med Chem 54: 8051-65 (2011) Article DOI: 10.1021/jm200868m BindingDB Entry DOI: 10.7270/Q2D50ND9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50358260 (CHEMBL1922228) Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-8-20(9-13-22)26(32)29-25-7-4-3-6-24(25)27(33)28-21-10-14-23(34-2)15-11-21/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,33)(H,29,32)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader				Bioorg Med Chem 23: 277-89 (2015) Article DOI: 10.1016/j.bmc.2014.11.042 BindingDB Entry DOI: 10.7270/Q2P55Q4X
					More data for this Ligand-Target Pair