BindingDB PrimarySearch

BDBM50459059 CHEMBL4217043

SMILES: COc1ncc(cn1)-c1nc(C(=O)NC(N)=N)c(N)nc1N1CCCCCC1

InChI Key: InChIKey=WREBDSFOSWCPIS-UHFFFAOYSA-N

Data: 2 KI 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50459059
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))	BDBM50459059 (CHEMBL4217043) 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	53	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)
Urokinase-type plasminogen activator (uPA) (Mus musculus (Mouse))	BDBM50459059 (CHEMBL4217043) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.61E+3	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 mouse uPA using Z-Gly-Gly-Arg-AMC as substrate after 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
Prothrombin (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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
Sodium channel protein type 5 subunit alpha/beta-1/beta-2 (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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
Coagulation factor X (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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
Coagulation factor XI (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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 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
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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	39	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)
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50459059 (CHEMBL4217043) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) Show SMILES Show InChI	PDB UniProtKB/SwissProt 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 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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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
Plasminogen (Homo sapiens (Human))	BDBM50459059 (CHEMBL4217043) 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