BDBM50209899 3-(((E)-3-{3-[amino(imino)methyl]phenyl}prop-2-en-1-yl){1-[(2,5-dimethoxyphenyl)sulfonyl]piperidin-4-yl}-amino)-3-oxopropanoic acid::CHEMBL244641

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CC(O)=O

InChI Key: InChIKey=HLQXAHPYUSCBIR-GQCTYLIASA-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 = 50209899   

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
Prothrombin (Homo sapiens (Human))	BDBM50209899 (3-(((E)-3-{3-[amino(imino)methyl]phenyl}prop-2-en-...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CC(O)=O Show InChI InChI=1S/C26H32N4O7S/c1-36-21-8-9-22(37-2)23(16-21)38(34,35)29-13-10-20(11-14-29)30(24(31)17-25(32)33)12-4-6-18-5-3-7-19(15-18)26(27)28/h3-9,15-16,20H,10-14,17H2,1-2H3,(H3,27,28)(H,32,33)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem 15: 4175-92 (2007) Article DOI: 10.1016/j.bmc.2007.03.066 BindingDB Entry DOI: 10.7270/Q27H1J90
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50209899 (3-(((E)-3-{3-[amino(imino)methyl]phenyl}prop-2-en-...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC(CC1)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CC(O)=O Show InChI InChI=1S/C26H32N4O7S/c1-36-21-8-9-22(37-2)23(16-21)38(34,35)29-13-10-20(11-14-29)30(24(31)17-25(32)33)12-4-6-18-5-3-7-19(15-18)26(27)28/h3-9,15-16,20H,10-14,17H2,1-2H3,(H3,27,28)(H,32,33)/b6-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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				Bioorg Med Chem 15: 4175-92 (2007) Article DOI: 10.1016/j.bmc.2007.03.066 BindingDB Entry DOI: 10.7270/Q27H1J90
					More data for this Ligand-Target Pair