BDBM50348652 CHEMBL1801429

SMILES: ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=LCYYUMHWMVOGPC-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50348652   

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))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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	0.220	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))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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	22	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))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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 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
Collagenase 3 (Homo sapiens (Human))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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	0.100	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50348652 (CHEMBL1801429) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-3-1-13(2-4-15)29-14-5-7-16(8-6-14)31(27,28)18(17(25)24-26)9-11-23-12-10-18/h1-8,23,26H,9-12H2,(H,24,25)	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	0.700	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