BDBM50119282 CHEMBL3617404

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

InChI Key: InChIKey=UJKKQEHHLXCTJE-OAQYLSRUSA-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 = 50119282   

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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/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	0.130	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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/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	660	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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/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	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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/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	0.580	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))	BDBM50119282 (CHEMBL3617404) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO |r| Show InChI InChI=1S/C22H29N3O7S/c1-15(2)32-25(21(22(27)24-28)13-14-23-16(3)26)33(29,30)20-11-7-18(8-12-20)17-5-9-19(31-4)10-6-17/h5-12,15,21,28H,13-14H2,1-4H3,(H,23,26)(H,24,27)/t21-/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	20	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