BDBM104908 CHEMBL468270::US8569313, Inhibitor 16

SMILES: NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1

InChI Key: InChIKey=WAFSHTVICTUASP-VWLOTQADSA-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 = 104908   

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
Matriptase (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition assay using matriptase enzyme				US Patent US8569313 (2013) BindingDB Entry DOI: 10.7270/Q2639ND5
					More data for this Ligand-Target Pair
Matriptase (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of plasmin (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of uPA (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM104908 (CHEMBL468270 | US8569313, Inhibitor 16) Show SMILES NCCCCc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H40N6O3S/c28-13-2-1-5-21-6-4-9-24(18-21)37(35,36)32-25(19-22-7-3-8-23(17-22)26(30)31)27(34)33-15-11-20(10-14-29)12-16-33/h3-4,6-9,17-18,20,25,32H,1-2,5,10-16,19,28-29H2,(H3,30,31)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Discovery GmbH Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 67-73 (2008) Article DOI: 10.1016/j.bmcl.2008.11.019 BindingDB Entry DOI: 10.7270/Q2HH6JXF
					More data for this Ligand-Target Pair