Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'pirard' and Initial = 'b'   

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
Stromelysin-3 (Homo sapiens (Human))	BDBM50138684 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP11				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50138684 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP9				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50180017 (14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...) Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP8				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50138684 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP2				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50138684 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP14				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50180017 (14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...) Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP1				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50180017 (14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...) Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP3				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50180017 (14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...) Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP9				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50180017 (14-methylcarbamoyl-2,8-dioxo-3-phenethyl-1,4,9-tri...) Show SMILES CNC(=O)C1CCCCNC(=O)CCC(NC(CCc2ccccc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C22H32N4O5/c1-23-20(28)16-9-5-6-14-24-19(27)13-12-18(22(30)31)25-17(21(29)26-16)11-10-15-7-3-2-4-8-15/h2-4,7-8,16-18,25H,5-6,9-14H2,1H3,(H,23,28)(H,24,27)(H,26,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP2				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212110 (US9290485, 142) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C25H26N6O2/c1-17-11-23(26)29-18(2)22(17)13-27-25(33)21-12-28-31(16-21)15-20-8-6-19(7-9-20)14-30-10-4-3-5-24(30)32/h3-12,16H,13-15H2,1-2H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0224	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212116 (US9290485, 148) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C24H28N8O/c1-15-9-23(25)27-18(4)21(15)11-26-24(33)22-14-31(30-28-22)12-19-5-7-20(8-6-19)13-32-17(3)10-16(2)29-32/h5-10,14H,11-13H2,1-4H3,(H2,25,27)(H,26,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212114 (US9290485, 146) Show SMILES Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)c1 Show InChI InChI=1S/C24H27N7O/c1-16-9-27-30(12-16)13-19-4-6-20(7-5-19)14-31-15-21(10-28-31)24(32)26-11-22-17(2)8-23(25)29-18(22)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211977 (US9290485, 9) Show SMILES COc1cc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)ccc1Cn1cccn1 Show InChI InChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0912	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212115 (US9290485, 147) Show SMILES Cc1ccnn1Cc1ccc(Cn2cc(nn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C23H26N8O/c1-15-10-22(24)27-17(3)20(15)11-25-23(32)21-14-30(29-28-21)12-18-4-6-19(7-5-18)13-31-16(2)8-9-26-31/h4-10,14H,11-13H2,1-3H3,(H2,24,27)(H,25,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104001 (4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(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	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP9				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212136 (US9290485, 168) Show SMILES Cc1cc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212004 (US9290485, 36) Show SMILES Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2)n1 Show InChI InChI=1S/C25H29N7O/c1-16-9-24(26)29-19(4)23(16)12-27-25(33)22-11-28-31(15-22)13-20-5-7-21(8-6-20)14-32-18(3)10-17(2)30-32/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212135 (US9290485, 167) Show SMILES Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Show InChI InChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212134 (US9290485, 166) Show SMILES Cc1c(C)c2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1C Show InChI InChI=1S/C23H27N7O/c1-13-8-22(24)26-15(3)19(13)10-25-23(31)20-12-30(28-27-20)11-17-6-7-21-18(9-17)14(2)16(4)29(21)5/h6-9,12H,10-11H2,1-5H3,(H2,24,26)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM211974 (US9290485, 6) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)20(16)11-25-23(31)21-14-29(15-26-21)12-18-4-6-19(7-5-18)13-30-9-3-8-27-30/h3-10,14-15H,11-13H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212113 (US9290485, 145) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C23H25N7O/c1-16-10-22(24)28-17(2)21(16)12-25-23(31)20-11-27-30(15-20)14-19-6-4-18(5-7-19)13-29-9-3-8-26-29/h3-11,15H,12-14H2,1-2H3,(H2,24,28)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM212141 (US9290485, 173) Show SMILES Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1 Show InChI InChI=1S/C27H29ClN6O3/c1-16-8-24(33-26(36)37-27(3,4)5)32-17(2)22(16)13-30-25(35)20-11-31-34(15-20)14-18-6-7-23-19(9-18)10-21(28)12-29-23/h6-12,15H,13-14H2,1-5H3,(H,30,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104001 (4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP2				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50104001 (4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP3				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212124 (US9290485, 156) Show SMILES Cc1ccc2cc(Cn3cc(nn3)C(=O)NCc3c(C)cc(N)nc3C)cnc2c1 Show InChI InChI=1S/C22H23N7O/c1-13-4-5-17-8-16(9-24-19(17)6-13)11-29-12-20(27-28-29)22(30)25-10-18-14(2)7-21(23)26-15(18)3/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212109 (US9290485, 141) Show SMILES Cc1cc(=O)n(C)n1Cc1ccc(Cn2cc(cn2)C(=O)NCc2c(C)cc(N)nc2C)cc1 Show InChI InChI=1S/C25H29N7O2/c1-16-9-23(26)29-18(3)22(16)12-27-25(34)21-11-28-31(15-21)13-19-5-7-20(8-6-19)14-32-17(2)10-24(33)30(32)4/h5-11,15H,12-14H2,1-4H3,(H2,26,29)(H,27,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212122 (US9290485, 154) Show SMILES Cc1ccc2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1 Show InChI InChI=1S/C23H24N6O/c1-14-8-22(24)28-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-7-21-18(9-17)6-4-15(2)27-21/h4-10,13H,11-12H2,1-3H3,(H2,24,28)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50320214 (3-(7-amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyr...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1cccc(O)c1 Show InChI InChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-7-5-16(6-8-18)21-15-26-29-22(24)20(14-25-23(21)29)17-3-2-4-19(30)13-17/h2-8,13-15,30H,9-12,24H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of SRC				Bioorg Med Chem Lett 20: 3628-31 (2010) Article DOI: 10.1016/j.bmcl.2010.04.112 BindingDB Entry DOI: 10.7270/Q2XP754D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212125 (US9290485, 157) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1 Show InChI InChI=1S/C22H21ClN6O/c1-13-7-21(24)27-14(2)19(13)10-25-22(30)16-9-26-29(11-16)12-18-6-4-15-3-5-17(23)8-20(15)28-18/h3-9,11H,10,12H2,1-2H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212062 (US9290485, 94) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCc3ccccc3)cc2)c1 Show InChI InChI=1S/C26H27N5O2/c1-18-12-25(27)30-19(2)24(18)14-28-26(32)22-13-29-31(16-22)15-20-8-10-23(11-9-20)33-17-21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H2,27,30)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10487 (1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-...) Show SMILES Nc1c2CCCCCc2nc2cccc(Cl)c12 Show InChI InChI=1S/C14H15ClN2/c15-10-6-4-8-12-13(10)14(16)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H2,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50138684 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP8				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212111 (US9290485, 143) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCCC3=O)cc2)c1 Show InChI InChI=1S/C24H28N6O2/c1-16-10-22(25)28-17(2)21(16)12-26-24(32)20-11-27-30(15-20)14-19-7-5-18(6-8-19)13-29-9-3-4-23(29)31/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H2,25,28)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50180016 ((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP2				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50180016 ((S)-2-((4-(4-bromobenzamido)phenylsulfonyl)methyl)...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)CS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H21BrN2O5S/c26-19-7-5-16(6-8-19)24(29)28-20-9-11-21(12-10-20)34(32,33)15-18(25(30)31)13-17-14-27-23-4-2-1-3-22(17)23/h1-12,14,18,27H,13,15H2,(H,28,29)(H,30,31)/t18-/m1/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to MMP9				J Med Chem 49: 51-69 (2006) Article DOI: 10.1021/jm050363f BindingDB Entry DOI: 10.7270/Q20K285S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10501 (1-(3-{[(4-amino-2-methylquinolin-3-yl)methoxy]meth...) Show SMILES Cc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O2/c1-12-16(18(24)15-7-2-3-8-17(15)25-12)11-27-10-13-5-4-6-14(9-13)19(26)20(21,22)23/h2-9H,10-11H2,1H3,(H2,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10503 (1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)me...) Show SMILES Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H16F4N2OS/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212137 (US9290485, 169) Show SMILES Cc1cn2cc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)ccc2n1 Show InChI InChI=1S/C21H23N7O/c1-13-6-19(22)26-15(3)18(13)8-23-21(29)17-7-24-28(12-17)11-16-4-5-20-25-14(2)9-27(20)10-16/h4-7,9-10,12H,8,11H2,1-3H3,(H2,22,26)(H,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212123 (US9290485, 155) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1 Show InChI InChI=1S/C22H22N6O/c1-14-7-21(23)27-15(2)19(14)11-25-22(29)18-10-26-28(13-18)12-16-8-17-5-3-4-6-20(17)24-9-16/h3-10,13H,11-12H2,1-2H3,(H2,23,27)(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212043 (US9290485, 75) Show SMILES Cc1[nH]c2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc2c1C Show InChI InChI=1S/C23H26N6O/c1-13-7-22(24)28-16(4)20(13)10-25-23(30)18-9-26-29(12-18)11-17-5-6-21-19(8-17)14(2)15(3)27-21/h5-9,12,27H,10-11H2,1-4H3,(H2,24,28)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212083 (US9290485, 115) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(c2)-c2ccccc2)c1 Show InChI InChI=1S/C25H25N5O/c1-17-11-24(26)29-18(2)23(17)14-27-25(31)22-13-28-30(16-22)15-19-7-6-10-21(12-19)20-8-4-3-5-9-20/h3-13,16H,14-15H2,1-2H3,(H2,26,29)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM10499 (1-(3-{[(4-amino-5-fluoro-2-methylquinolin-3-yl)met...) Show SMILES Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H16F4N2O2/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.8	22
Syngenta					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...				J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212120 (US9290485, 152) Show SMILES CN1CCCc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(N)nc3C)cc12 Show InChI InChI=1S/C23H28N6O/c1-15-9-22(24)27-16(2)20(15)12-25-23(30)19-11-26-29(14-19)13-17-6-7-18-5-4-8-28(3)21(18)10-17/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H2,24,27)(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50320205 (CHEMBL1083001 | N-(4-(7-amino-3-(4-(4-methylpipera...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1 Show InChI InChI=1S/C31H37N7O/c1-36-16-18-37(19-17-36)26-13-9-24(10-14-26)28-21-34-38-30(32)27(20-33-31(28)38)23-7-11-25(12-8-23)35-29(39)15-6-22-4-2-3-5-22/h7-14,20-22H,2-6,15-19,32H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 20: 3628-31 (2010) Article DOI: 10.1016/j.bmcl.2010.04.112 BindingDB Entry DOI: 10.7270/Q2XP754D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212126 (US9290485, 158) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccc(Cl)cc3n2)nn1 Show InChI InChI=1S/C21H20ClN7O/c1-12-7-20(23)25-13(2)17(12)9-24-21(30)19-11-29(28-27-19)10-16-6-4-14-3-5-15(22)8-18(14)26-16/h3-8,11H,9-10H2,1-2H3,(H2,23,25)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212129 (US9290485, 161) Show SMILES Cc1cc(C)c2cc(Cn3cc(cn3)C(=O)NCc3ccc(N)nc3C)c(C)nc2c1 Show InChI InChI=1S/C24H26N6O/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50320225 (CHEMBL1085316 | N-(4-(7-amino-3-(3-(4-methylpipera...) Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1 Show InChI InChI=1S/C31H37N7O/c1-36-15-17-37(18-16-36)26-8-4-7-24(19-26)28-21-34-38-30(32)27(20-33-31(28)38)23-10-12-25(13-11-23)35-29(39)14-9-22-5-2-3-6-22/h4,7-8,10-13,19-22H,2-3,5-6,9,14-18,32H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute of Biomedical Research Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 20: 3628-31 (2010) Article DOI: 10.1016/j.bmcl.2010.04.112 BindingDB Entry DOI: 10.7270/Q2XP754D
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212108 (US9290485, 140) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccnn3)cc2)c1 Show InChI InChI=1S/C22H24N8O/c1-15-9-21(23)27-16(2)20(15)11-24-22(31)19-10-26-30(14-19)13-18-5-3-17(4-6-18)12-29-8-7-25-28-29/h3-10,14H,11-13H2,1-2H3,(H2,23,27)(H,24,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212107 (US9290485, 139) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccc(=O)[nH]3)cc2)c1 Show InChI InChI=1S/C23H25N7O2/c1-15-9-21(24)27-16(2)20(15)11-25-23(32)19-10-26-30(14-19)13-18-5-3-17(4-6-18)12-29-8-7-22(31)28-29/h3-10,14H,11-13H2,1-2H3,(H2,24,27)(H,25,32)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM212130 (US9290485, 162) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(c3cc(F)ccc3n2)C(F)(F)F)c1 Show InChI InChI=1S/C23H20F4N6O/c1-12-5-21(28)31-13(2)18(12)9-29-22(34)14-8-30-33(10-14)11-16-7-19(23(25,26)27)17-6-15(24)3-4-20(17)32-16/h3-8,10H,9,11H2,1-2H3,(H2,28,31)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair

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