BDBM50198036 ((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulfonylamino}-2-methyl-propyl)-phosphonic acid::CHEMBL228141

SMILES: COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1

InChI Key: InChIKey=AGSXHHFUSDGSSO-LJQANCHMSA-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 = 50198036   

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))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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	680	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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	790	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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	480	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50198036 (((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulf...) Show SMILES COc1ccc(CCc2ccc(cc2)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H26NO6PS/c1-14(2)19(27(21,22)23)20-28(24,25)18-12-8-16(9-13-18)5-4-15-6-10-17(26-3)11-7-15/h6-14,19-20H,4-5H2,1-3H3,(H2,21,22,23)/t19-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Università "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 15: 791-9 (2006) Article DOI: 10.1016/j.bmc.2006.10.047 BindingDB Entry DOI: 10.7270/Q2DR2V4T
					More data for this Ligand-Target Pair				3D Structure (docked)