BDBM50348649 CHEMBL1801393

SMILES: ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=JATUSZYMCBLDQS-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50348649   

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-9 (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP14 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP7 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP3 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP1 expressed in human HT-1080 cells assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluoromet...				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50348649 (CHEMBL1801393) Show SMILES ONC(=O)C1(CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair