BindingDB PrimarySearch

BDBM50098596 CHEMBL3594313

SMILES: CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc(cc3)C(N)=N)C(=O)NCc1c2

InChI Key: InChIKey=HLENBKTVSREWEE-AREMUKBSSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50098596
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human APC measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using S2302 as substrate measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human trypsin measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human thrombin using S2238 as substrate measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Kallikrein-1 (KLK1) (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human tissue kallikrein 1 measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human F10a using S2222 as substrate measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50098596 (CHEMBL3594313) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human F9a measured for 30 mins				J Med Chem 58: 6225-36 (2015) Article DOI: 10.1021/acs.jmedchem.5b00788 BindingDB Entry DOI: 10.7270/Q2DN46TN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair