BDBM50095544 4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL148136

SMILES: COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O

InChI Key: InChIKey=YNSHKUPPIHHCNP-MAUKXSAKSA-N

Data: 5 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 5 hits for monomerid = 50095544   

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-7 (MMP7) (Homo sapiens (Human))	BDBM50095544 (4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-7 (matrilysin, MMP-7)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50095544 (4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -1 (collagenase-1)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair				3D Structure (docked)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095544 (4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50095544 (4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/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	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50095544 (4-(Methanesulfonyl-pyridin-3-ylmethyl-amino)-1-(4-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N(Cc1cccnc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N4O7S2/c1-30-16-5-7-17(8-6-16)32(28,29)23-13-15(10-18(23)19(24)21-25)22(31(2,26)27)12-14-4-3-9-20-11-14/h3-9,11,15,18,25H,10,12-13H2,1-2H3,(H,21,24)/t15-,18+/m0/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair