Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 656.7 BDBM50374312

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

Found 4 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
Coagulation factor X (Homo sapiens (Human))	BDBM50374312 (CHEMBL270834) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C29H40N10O6S/c30-28(31)34-15-6-11-21(25(41)27-38-20-10-4-5-13-23(20)45-27)37-24(40)18-36-26(42)22(12-7-16-35-29(32)33)39-46(43,44)17-14-19-8-2-1-3-9-19/h1-5,8-10,13,21-22,39H,6-7,11-12,14-18H2,(H,36,42)(H,37,40)(H4,30,31,34)(H4,32,33,35)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50374312 (CHEMBL270834) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C29H40N10O6S/c30-28(31)34-15-6-11-21(25(41)27-38-20-10-4-5-13-23(20)45-27)37-24(40)18-36-26(42)22(12-7-16-35-29(32)33)39-46(43,44)17-14-19-8-2-1-3-9-19/h1-5,8-10,13,21-22,39H,6-7,11-12,14-18H2,(H,36,42)(H,37,40)(H4,30,31,34)(H4,32,33,35)/t21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of kallikrein				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50374312 (CHEMBL270834) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C29H40N10O6S/c30-28(31)34-15-6-11-21(25(41)27-38-20-10-4-5-13-23(20)45-27)37-24(40)18-36-26(42)22(12-7-16-35-29(32)33)39-46(43,44)17-14-19-8-2-1-3-9-19/h1-5,8-10,13,21-22,39H,6-7,11-12,14-18H2,(H,36,42)(H,37,40)(H4,30,31,34)(H4,32,33,35)/t21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of tPA				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50374312 (CHEMBL270834) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]S(=O)(=O)[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C29H40N10O6S/c30-28(31)34-15-6-11-21(25(41)27-38-20-10-4-5-13-23(20)45-27)37-24(40)18-36-26(42)22(12-7-16-35-29(32)33)39-46(43,44)17-14-19-8-2-1-3-9-19/h1-5,8-10,13,21-22,39H,6-7,11-12,14-18H2,(H,36,42)(H,37,40)(H4,30,31,34)(H4,32,33,35)/t21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair