BDBM50130874 CHEMBL3632761

SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1

InChI Key: InChIKey=CMQOQSPVFQTXTQ-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50130874   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hepsin (Homo sapiens (Human))	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50130874 (CHEMBL3632761) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O2/c21-19(22)13-7-8-15-14(11-13)12-16(23-15)17-5-4-6-18(24(17)26)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) BindingDB Entry DOI: 10.7270/Q24B335X
					More data for this Ligand-Target Pair