BDBM50203955 CHEMBL3978380

SMILES: O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=GTZKIGXVCZWIAR-UHFFFAOYSA-N

Data: 11 IC50

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 11 hits for monomerid = 50203955   

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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 as substrate measured after 40 mins by spectrofluor...				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0710	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP12 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50203955 (CHEMBL3978380) Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H22N6O5S/c33-24-20-6-1-2-7-21(20)28-23(30-24)25(34)27-13-17-4-3-5-19(12-17)18-10-8-16(9-11-18)14-38(36,37)15-22-29-26(35)32-31-22/h1-12H,13-15H2,(H,27,34)(H,28,30,33)(H2,29,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human AMPA-activated MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method				Bioorg Med Chem 24: 6149-6165 (2016) Article DOI: 10.1016/j.bmc.2016.09.009 BindingDB Entry DOI: 10.7270/Q2H1341V
					More data for this Ligand-Target Pair