BDBM50119285 CHEMBL3617402

SMILES: CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=QHHHTEGVVKPDKH-HXUWFJFHSA-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 = 50119285   

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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/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	0.330	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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/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	280	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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/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	6.5	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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/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	0.680	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))	BDBM50119285 (CHEMBL3617402) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C21H27N3O6S/c1-15(2)30-24(20(21(26)23-27)13-14-22-16(3)25)31(28,29)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20,27H,13-14H2,1-3H3,(H,22,25)(H,23,26)/t20-/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	47	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