BDBM50348668 CHEMBL1801056

SMILES: COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1

InChI Key: InChIKey=GXZSIAVJNPWNMR-UHFFFAOYSA-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 = 50348668   

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))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	1.5	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	10	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
Collagenase 3 (Homo sapiens (Human))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	0.400	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	0.400	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	3.60E+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
Stromelysin-1 (Homo sapiens (Human))	BDBM50348668 (CHEMBL1801056) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC#C)CC2)C(=O)NO)cc1 Show InChI InChI=1S/C22H24N2O6S/c1-3-14-24-15-12-22(13-16-24,21(25)23-26)31(27,28)20-10-8-19(9-11-20)30-18-6-4-17(29-2)5-7-18/h1,4-11,26H,12-16H2,2H3,(H,23,25)	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	0.200	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