Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50037259   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146802 (CHEMBL95068 | piperidin-1-ylcarbonylphosphonic aci...) Show SMILES OP(O)(=O)C(=O)N1CCCCC1 Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-4-2-1-3-5-7/h1-5H2,(H2,9,10,11)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146805 (CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...) Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146799 ((isopropylamino)carbonylphosphonic acid | CHEMBL97...) Show SMILES CC(C)NC(=O)P(O)(O)=O Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146811 ((ethylamino)carbonylphosphonic acid | CHEMBL94348) Show SMILES CCNC(=O)P(O)(O)=O Show InChI InChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146797 ((propylamino)carbonylphosphonic acid | CHEMBL94346) Show SMILES CCCNC(=O)P(O)(O)=O Show InChI InChI=1S/C4H10NO4P/c1-2-3-5-4(6)10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146809 ((methylamino)carbonylphosphonic acid | CHEMBL97388) Show SMILES CNC(=O)P(O)(O)=O Show InChI InChI=1S/C2H6NO4P/c1-3-2(4)8(5,6)7/h1H3,(H,3,4)(H2,5,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146816 ((cyclopentylamino)carbonylphosphonic acid | CHEMBL...) Show SMILES OP(O)(=O)C(=O)NC1CCCC1 Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146813 ((diethylamino)carbonylphosphonic acid | CHEMBL9705...) Show SMILES CCN(CC)C(=O)P(O)(O)=O Show InChI InChI=1S/C5H12NO4P/c1-3-6(4-2)5(7)11(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146817 ((sec-butylamino)carbonylphosphonic acid | CHEMBL97...) Show SMILES CCC(C)NC(=O)P(O)(O)=O Show InChI InChI=1S/C5H12NO4P/c1-3-4(2)6-5(7)11(8,9)10/h4H,3H2,1-2H3,(H,6,7)(H2,8,9,10)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146812 (cyclohexanaminium hydrogen [(3-methylbutyl)amino]c...) Show SMILES CC(C)CCNC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-5(2)3-4-7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146801 ((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...) Show SMILES OP(O)(=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146814 (CHEMBL97389 | sodium hydrogen (butylamino)carbonyl...) Show SMILES CCCCNC(=O)P(O)([O-])=O Show InChI InChI=1S/C5H12NO4P/c1-2-3-4-6-5(7)11(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)/p-1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146808 (CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...) Show SMILES CCC(CC)NC(=O)P(O)(O)=O Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146803 (CHEMBL97838 | morpholin-4-ylcarbonylphosphonic aci...) Show SMILES OP(O)(=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C5H10NO5P/c7-5(12(8,9)10)6-1-3-11-4-2-6/h1-4H2,(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146807 ((cycloheptylamino)carbonylphosphonic acid | CHEMBL...) Show SMILES OP(O)(=O)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146806 (cyclohexanaminium hydrogen (isobutylamino)carbonyl...) Show SMILES CC(C)CNC(=O)P(O)(O)=O Show InChI InChI=1S/C5H12NO4P/c1-4(2)3-6-5(7)11(8,9)10/h4H,3H2,1-2H3,(H,6,7)(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146815 ((cyclopropylamino)carbonylphosphonic acid | CHEMBL...) Show SMILES OP(O)(=O)C(=O)NC1CC1 Show InChI InChI=1S/C4H8NO4P/c6-4(10(7,8)9)5-3-1-2-3/h3H,1-2H2,(H,5,6)(H2,7,8,9)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50112446 (CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...) Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146804 ((dibutylamino)carbonylphosphonic acid | CHEMBL9643...) Show SMILES CCCCN(CCCC)C(=O)P(O)(O)=O Show InChI InChI=1S/C9H20NO4P/c1-3-5-7-10(8-6-4-2)9(11)15(12,13)14/h3-8H2,1-2H3,(H2,12,13,14)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146798 ((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...) Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1 Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50370325 (CHEMBL1627009) Show SMILES CCOP([O-])(=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C9H18NO4P/c1-2-14-15(12,13)9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)(H,12,13)/p-1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50146800 ((cyclobutylamino)carbonylphosphonic acid | CHEMBL9...) Show SMILES OP(O)(=O)C(=O)NC1CCC1 Show InChI InChI=1S/C5H10NO4P/c7-5(11(8,9)10)6-4-2-1-3-4/h4H,1-3H2,(H,6,7)(H2,8,9,10)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined				J Med Chem 47: 2826-32 (2004) Article DOI: 10.1021/jm030386z BindingDB Entry DOI: 10.7270/Q2XS5W4C
					More data for this Ligand-Target Pair