BDBM50389107 CHEMBL2064541

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=GDXZUNJRYLVZAT-WJOKGBTCSA-N

Data: 4 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 4 hits for monomerid = 50389107   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50389107 (CHEMBL2064541) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50389107 (CHEMBL2064541) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50389107 (CHEMBL2064541) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incub...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50389107 (CHEMBL2064541) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
					More data for this Ligand-Target Pair