BDBM50119281 CHEMBL3617405

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=WVPKYEATTXWJLC-AREMUKBSSA-N

Data: 6 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 6 hits for monomerid = 50119281   

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))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hr...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follo...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) BindingDB Entry DOI: 10.7270/Q2DV1MPR
					More data for this Ligand-Target Pair