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SMILES: CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1

InChI Key: InChIKey=SMIUAWMUPRBQJD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 256121   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM256121 (US9487462, 2) Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1 Show InChI InChI=1S/C27H26FN3O3S/c1-2-33-27(32)25-19-35-26(30-25)17-31(15-20-5-9-23(28)10-6-20)16-21-7-11-24(12-8-21)34-18-22-4-3-13-29-14-22/h3-14,19H,2,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM256121 (US9487462, 2) Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1 Show InChI InChI=1S/C27H26FN3O3S/c1-2-33-27(32)25-19-35-26(30-25)17-31(15-20-5-9-23(28)10-6-20)16-21-7-11-24(12-8-21)34-18-22-4-3-13-29-14-22/h3-14,19H,2,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM256121 (US9487462, 2) Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1 Show InChI InChI=1S/C27H26FN3O3S/c1-2-33-27(32)25-19-35-26(30-25)17-31(15-20-5-9-23(28)10-6-20)16-21-7-11-24(12-8-21)34-18-22-4-3-13-29-14-22/h3-14,19H,2,15-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM256121 (US9487462, 2) Show SMILES CCOC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccc(OCc3cccnc3)cc2)n1 Show InChI InChI=1S/C27H26FN3O3S/c1-2-33-27(32)25-19-35-26(30-25)17-31(15-20-5-9-23(28)10-6-20)16-21-7-11-24(12-8-21)34-18-22-4-3-13-29-14-22/h3-14,19H,2,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	7.5	37
PharmaHungary 2000 Kft.; TargetEx Kft. US Patent					Assay Description Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an as...				US Patent US9487462 (2016) BindingDB Entry DOI: 10.7270/Q2W094VZ
					More data for this Ligand-Target Pair