Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.9 BDBM50289382

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50289382 (4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50289382 (4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50289382 (4-Chloro-N-(2-{3-[2-(pyridin-4-ylamino)-ethoxy]-ph...) Show SMILES Clc1ccc(cc1)S(=O)(=O)NCCc1cccc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C21H22ClN3O3S/c22-18-4-6-21(7-5-18)29(26,27)25-13-8-17-2-1-3-20(16-17)28-15-14-24-19-9-11-23-12-10-19/h1-7,9-12,16,25H,8,13-15H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
TBA Curated by ChEMBL					Assay Description Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.				Bioorg Med Chem Lett 7: 1283-1288 (1997) Article DOI: 10.1016/S0960-894X(97)00210-2 BindingDB Entry DOI: 10.7270/Q29W0FZ9
					More data for this Ligand-Target Pair