BindingDB PrimarySearch

BDBM50459055 CHEMBL4207715

SMILES: NC(=N)NC(=O)c1nc(-c2cc3c(F)cccc3o2)c(nc1N)N1CCCCCC1

InChI Key: InChIKey=ITMHCPYYAUUUAC-UHFFFAOYSA-N

Data: 1 KI 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50459055
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
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured over 15 mins by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of activated protein C (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of plasmin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human kidney uPA using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50459055 (CHEMBL4207715) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay				J Med Chem 61: 8299-8320 (2018) Article DOI: 10.1021/acs.jmedchem.8b00838 BindingDB Entry DOI: 10.7270/Q2QF8WH4
University of Wollongong Curated by ChEMBL					More data for this Ligand-Target Pair