Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'snow' and Initial = 'l'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor (unknown origin)				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor (unknown origin)				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529935 (COCHLIOQUINONE A) Show SMILES CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15| Show InChI InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529935 (COCHLIOQUINONE A) Show SMILES CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15| Show InChI InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529932 (STEMPHONE) Show SMILES C\C=C(/C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15| Show InChI InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529932 (STEMPHONE) Show SMILES C\C=C(/C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15| Show InChI InChI=1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529934 (ETHYLENE GLYCOL DIOCTANOATE) Show SMILES CCCCCCCC(=O)OCCOC(=O)CCCCCCC Show InChI InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529934 (ETHYLENE GLYCOL DIOCTANOATE) Show SMILES CCCCCCCC(=O)OCCOC(=O)CCCCCCC Show InChI InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529937 (CHEBI:75342 | Glyceryl monooleate) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO Show InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM50529937 (CHEBI:75342 | Glyceryl monooleate) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO Show InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094464 (CHEMBL3590107 | US10525036, Example SCH772984 | US...) Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094465 (CHEMBL3590106 | US10525036, Example BVD-523 | US10...) Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r| Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094464 (CHEMBL3590107 | US10525036, Example SCH772984 | US...) Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094465 (CHEMBL3590106 | US10525036, Example BVD-523 | US10...) Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r| Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50151740 ((3S,4R)-3-Hydroxy-4-(4''-methyl-biphenyl-4-sulfony...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)27(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151751 (3-Hydroxy-4-(3''-methyl-biphenyl-4-sulfonyl)-tetra...) Show SMILES Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@@H]1CCOC[C@]1(O)C(=O)NO Show InChI InChI=1S/C19H21NO6S/c1-13-3-2-4-15(11-13)14-5-7-16(8-6-14)27(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168742 ((2R,3R)-3-Hydroxy-3-methyl-1-[4-(quinolin-8-ylmeth...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)12-4-14-26(21(23)22(27)25-29)33(30,31)19-10-8-18(9-11-19)32-15-17-6-2-5-16-7-3-13-24-20(16)17/h2-3,5-11,13,21,28-29H,4,12,14-15H2,1H3,(H,25,27)/t21-,23+/m0/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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167611 ((2R,5R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...) Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C21H24ClFN2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(23)9-18(13)22/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151734 ((3S,4R)-4-[4-(4-Chloro-benzyloxy)-benzenesulfonyl]...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-13(2-4-14)11-28-15-5-7-16(8-6-15)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1	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	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease 12				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151732 (4-[4-(2,4-Dichloro-benzyloxy)-benzenesulfonyl]-3-h...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C19H19Cl2NO7S/c20-13-2-1-12(16(21)9-13)10-29-14-3-5-15(6-4-14)30(26,27)17-7-8-28-11-19(17,24)18(23)22-25/h1-6,9,17,24-25H,7-8,10-11H2,(H,22,23)/t17-,19-/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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24922 (5-(carbamoylamino)-3-{6,7,8,9-tetrahydro-5H-benzo[...) Show SMILES NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...				Bioorg Med Chem Lett 16: 3444-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.003 BindingDB Entry DOI: 10.7270/Q26Q1VH5
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50118975 (4-(4-Methoxy-benzenesulfonyl)-1-(thiophene-2-carbo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)c1cccs1 Show InChI InChI=1S/C22H21N3O6S2/c1-31-16-8-10-17(11-9-16)33(29,30)25-13-15-5-2-3-6-18(15)24(14-19(25)21(26)23-28)22(27)20-7-4-12-32-20/h2-12,19,28H,13-14H2,1H3,(H,23,26)	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of matrix metalloprotease-13.				Bioorg Med Chem Lett 13: 3243-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q23ZMM
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24923 (5-(carbamoylamino)-3-[(5R)-6,7,8,9-tetrahydro-5H-b...) Show SMILES NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc23)c1C(N)=O |r| Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...				Bioorg Med Chem Lett 16: 3444-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.003 BindingDB Entry DOI: 10.7270/Q26Q1VH5
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50168737 ((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-8				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151736 (3-Hydroxy-4-(4-p-tolyloxy-benzenesulfonyl)-tetrahy...) Show SMILES Cc1ccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C19H21NO7S/c1-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)17-10-11-26-12-19(17,22)18(21)20-23/h2-9,17,22-23H,10-12H2,1H3,(H,20,21)/t17-,19-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151741 ((3S,4R)-3-Hydroxy-4-(4-m-tolyloxy-benzenesulfonyl)...) Show SMILES Cc1cccc(Oc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)c1 Show InChI InChI=1S/C19H21NO7S/c1-13-3-2-4-15(11-13)27-14-5-7-16(8-6-14)28(24,25)17-9-10-26-12-19(17,22)18(21)20-23/h2-8,11,17,22-23H,9-10,12H2,1H3,(H,20,21)/t17-,19-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167619 ((2R,5R)-5-Hydroxy-3,3-dimethyl-1-[4-(4-methyl-benz...) Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)cc1 Show InChI InChI=1S/C22H28N2O6S/c1-15-4-6-16(7-5-15)14-30-18-8-10-19(11-9-18)31(28,29)24-13-17(25)12-22(2,3)20(24)21(26)23-27/h4-11,17,20,25,27H,12-14H2,1-3H3,(H,23,26)/t17-,20+/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151738 (3-Hydroxy-4-[4-(4-methyl-benzyloxy)-benzenesulfony...) Show SMILES Cc1ccc(COc2ccc(cc2)S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Show InChI InChI=1S/C20H23NO7S/c1-14-2-4-15(5-3-14)12-28-16-6-8-17(9-7-16)29(25,26)18-10-11-27-13-20(18,23)19(22)21-24/h2-9,18,23-24H,10-13H2,1H3,(H,21,22)/t18-,20-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167618 ((2R,5R)-1-[4-(4-Bromo-benzyloxy)-benzenesulfonyl]-...) Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H25BrN2O6S/c1-21(2)11-16(25)12-24(19(21)20(26)23-27)31(28,29)18-9-7-17(8-10-18)30-13-14-3-5-15(22)6-4-14/h3-10,16,19,25,27H,11-13H2,1-2H3,(H,23,26)/t16-,19+/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168743 ((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Rattus norvegicus)	BDBM50168758 ((2R,3S)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...) Show SMILES CC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against rat TACE				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168738 ((2R,3R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-4-5-16(22)12-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167620 ((2R,5R)-1-[4-(5-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1ccc(F)cc1COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)CC[C@@H]1C(=O)NO Show InChI InChI=1S/C20H23FN2O6S/c1-13-2-3-15(21)10-14(13)12-29-17-5-7-18(8-6-17)30(27,28)23-11-16(24)4-9-19(23)20(25)22-26/h2-3,5-8,10,16,19,24,26H,4,9,11-12H2,1H3,(H,22,25)/t16-,19-/m1/s1	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168752 ((2R,3R)-3-Hydroxy-3-methyl-1-[4-(2-methyl-benzylox...) Show SMILES Cc1ccccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H26N2O6S/c1-15-6-3-4-7-16(15)14-29-17-8-10-18(11-9-17)30(27,28)23-13-5-12-21(2,25)19(23)20(24)22-26/h3-4,6-11,19,25-26H,5,12-14H2,1-2H3,(H,22,24)/t19-,21+/m0/s1	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151746 (4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydro...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-14-3-1-2-13(10-14)11-28-15-4-6-16(7-5-15)29(25,26)17-8-9-27-12-19(17,23)18(22)21-24/h1-7,10,17,23-24H,8-9,11-12H2,(H,21,22)/t17-,19-/m1/s1	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168741 ((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...) Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50168756 ((2R,3R)-3-Hydroxy-1-[4-(isoquinolin-8-ylmethoxy)-b...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2cccc3ccncc23)cc1 Show InChI InChI=1S/C23H25N3O6S/c1-23(28)11-3-13-26(21(23)22(27)25-29)33(30,31)19-8-6-18(7-9-19)32-15-17-5-2-4-16-10-12-24-14-20(16)17/h2,4-10,12,14,21,28-29H,3,11,13,15H2,1H3,(H,25,27)/t21-,23+/m0/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha release in LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50151733 ((3S,4R)-4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]...) Show SMILES ONC(=O)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Show InChI InChI=1S/C19H20ClNO7S/c20-16-4-2-1-3-13(16)11-28-14-5-7-15(8-6-14)29(25,26)17-9-10-27-12-19(17,23)18(22)21-24/h1-8,17,23-24H,9-12H2,(H,21,22)/t17-,19-/m1/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloprotease 13				Bioorg Med Chem Lett 14: 4727-30 (2004) Article DOI: 10.1016/j.bmcl.2004.06.081 BindingDB Entry DOI: 10.7270/Q29S1QGP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50167621 ((2R,5R)-5-Hydroxy-3,3-dimethyl-1-[4-(3-methyl-benz...) Show SMILES Cc1cccc(COc2ccc(cc2)S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)c1 Show InChI InChI=1S/C22H28N2O6S/c1-15-5-4-6-16(11-15)14-30-18-7-9-19(10-8-18)31(28,29)24-13-17(25)12-22(2,3)20(24)21(26)23-27/h4-11,17,20,25,27H,12-14H2,1-3H3,(H,23,26)/t17-,20+/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Groton Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 15: 2808-11 (2005) Article DOI: 10.1016/j.bmcl.2005.03.105 BindingDB Entry DOI: 10.7270/Q2BC3Z24
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172252 (CHEMBL3809526) Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1 |r| Show InChI InChI=1S/C23H27N9O/c1-14(33)27-19-9-18(6-7-20(19)31-8-2-3-16(25)13-31)28-21-10-22(29-17-4-5-17)32-23(30-21)15(11-24)12-26-32/h6-7,9-10,12,16-17,29H,2-5,8,13,25H2,1H3,(H,27,33)(H,28,30)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172322 (CHEMBL3809288) Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C22H25N9O/c1-13(32)26-18-8-17(4-5-19(18)30-7-6-15(24)12-30)27-20-9-21(28-16-2-3-16)31-22(29-20)14(10-23)11-25-31/h4-5,8-9,11,15-16,28H,2-3,6-7,12,24H2,1H3,(H,26,32)(H,27,29)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172323 (CHEMBL3810252) Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C22H25N9O/c1-13(32)26-18-8-17(4-5-19(18)30-7-6-15(24)12-30)27-20-9-21(28-16-2-3-16)31-22(29-20)14(10-23)11-25-31/h4-5,8-9,11,15-16,28H,2-3,6-7,12,24H2,1H3,(H,26,32)(H,27,29)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM24899 (3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-[(methylca...) Show SMILES CNC(=O)Nc1snc(SC(C)c2ccc(Cl)cc2)c1C(N)=O Show InChI InChI=1S/C14H15ClN4O2S2/c1-7(8-3-5-9(15)6-4-8)22-13-10(11(16)20)12(23-19-13)18-14(21)17-2/h3-7H,1-2H3,(H2,16,20)(H2,17,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...				Bioorg Med Chem Lett 16: 3444-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.003 BindingDB Entry DOI: 10.7270/Q26Q1VH5
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172327 (CHEMBL3808860) Show SMILES CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O Show InChI InChI=1S/C22H27N9O/c1-3-30(9-8-23)19-7-6-17(10-18(19)26-14(2)32)27-20-11-21(28-16-4-5-16)31-22(29-20)15(12-24)13-25-31/h6-7,10-11,13,16,28H,3-5,8-9,23H2,1-2H3,(H,26,32)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172243 (CHEMBL3103192) Show SMILES CN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O Show InChI InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172250 (CHEMBL3809024) Show SMILES C[C@@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| Show InChI InChI=1S/C22H27N9O/c1-13(24)12-30(3)19-7-6-17(8-18(19)26-14(2)32)27-20-9-21(28-16-4-5-16)31-22(29-20)15(10-23)11-25-31/h6-9,11,13,16,28H,4-5,12,24H2,1-3H3,(H,26,32)(H,27,29)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50172249 (CHEMBL3809915) Show SMILES C[C@H](N)CN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O |r| Show InChI InChI=1S/C22H27N9O/c1-13(24)12-30(3)19-7-6-17(8-18(19)26-14(2)32)27-20-9-21(28-16-4-5-16)31-22(29-20)15(10-23)11-25-31/h6-9,11,13,16,28H,4-5,12,24H2,1-3H3,(H,26,32)(H,27,29)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 a...				ACS Med Chem Lett 7: 300-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00452 BindingDB Entry DOI: 10.7270/Q2C53NRM
					More data for this Ligand-Target Pair

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