Compile Data Set for Download or QSAR

Found 561 hits with Last Name = 'lee' and Initial = 'jc'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem		0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		3.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496900 (science.abl4784, 4) Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C28H37N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-22,32H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		7.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496901 (science.abl4784, 5) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C29H34F3N5O5S/c1-13(2)20(36-27(42)29(30,31)32)26(41)37-12-15-19(28(15,3)4)21(37)24(40)34-17(11-14-9-10-33-23(14)39)22(38)25-35-16-7-5-6-8-18(16)43-25/h5-8,13-15,17,19-21H,9-12H2,1-4H3,(H,33,39)(H,34,40)(H,36,42)/t14-,15-,17-,19-,20+,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496896 (US11312704, Compound 101 | US11351149, Example 49 ...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496897 (science.abl4784, 3) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C Show InChI InChI=1S/C32H33N5O5S/c1-32(2)18-15-37(31(41)22-14-17-19(34-22)8-6-9-23(17)42-3)26(25(18)32)29(40)35-21(13-16-11-12-33-28(16)39)27(38)30-36-20-7-4-5-10-24(20)43-30/h4-10,14,16,18,21,25-26,34H,11-13,15H2,1-3H3,(H,33,39)(H,35,40)/t16-,18-,21-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...				Science 374: 1-13 (2021) BindingDB Entry DOI: 10.7270/Q23T9MCM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM537926 (US11248003, Example 1) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...				Citation and Details BindingDB Entry DOI: 10.7270/Q28G8PWW
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,C797S] (Homo sapiens (Human))	BDBM537926 (US11248003, Example 1) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...				Citation and Details BindingDB Entry DOI: 10.7270/Q28G8PWW
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM537926 (US11248003, Example 1) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2N(C)S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...				Citation and Details BindingDB Entry DOI: 10.7270/Q28G8PWW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50117930 ((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...) Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human ERG by fluorescently labeled tracer binding method				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105748 (4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1 Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105762 (4-[4-(4-Fluoro-phenyl)-5-(2-phenylamino-pyrimidin-...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(10.94,3.96,;10.65,2.44,;11.82,1.44,;11.53,-.05,;10.06,-.57,;8.9,.42,;9.19,1.94,;9.76,-2.08,;10.81,-3.2,;10.09,-4.56,;8.59,-4.27,;8.39,-2.74,;7.06,-1.94,;7.08,-.4,;5.75,.4,;4.42,-.33,;4.39,-1.89,;3.04,-2.64,;1.73,-1.85,;.38,-2.6,;-.93,-1.82,;-.91,-.26,;.43,.48,;1.76,-.31,;5.7,-2.68,;7.51,-5.38,;6.02,-5,;4.95,-6.1,;5.38,-7.57,;4.32,-8.69,;6.86,-7.94,;7.94,-6.86,)| Show InChI InChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Cyclin-O (Homo sapiens)	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM50185140 (AP-26113 | Brigatinib | US11248003, Example Brigat...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...				Citation and Details BindingDB Entry DOI: 10.7270/Q28G8PWW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50563174 (CHEMBL1708376) Show SMILES Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105746 (CHEMBL318892 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...) Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276763 (US10071992, Example 8 | US11034678, Example 8 | US...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H20FN5O4/c1-2-30-18-6-15(22)10-26-21(18)31-17-5-13(7-23-11-17)19-24-8-14(9-25-19)20(28)27-16-3-4-29-12-16/h5-11,16H,2-4,12H2,1H3,(H,27,28)/t16-/m0/s1	Reactome pathway KEGG 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	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276763 (US10071992, Example 8 | US11034678, Example 8 | US...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H20FN5O4/c1-2-30-18-6-15(22)10-26-21(18)31-17-5-13(7-23-11-17)19-24-8-14(9-25-19)20(28)27-16-3-4-29-12-16/h5-11,16H,2-4,12H2,1H3,(H,27,28)/t16-/m0/s1	Reactome pathway KEGG 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	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504497 (First-eluting enantiomer from separation of Exampl...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCC(NC1)C(F)(F)F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504497 (First-eluting enantiomer from separation of Exampl...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCC(NC1)C(F)(F)F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50105742 (4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...) Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)| Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK2beta2 kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246545 (CHEMBL4065208) Show SMILES Oc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c28-19-2-4-20(5-3-19)29-23-9-12-25-22-13-16(1-6-21(22)23)17-14-26-27(15-17)18-7-10-24-11-8-18/h1-6,9,12-15,18,24,28H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504419 (2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@@H]1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504419 (2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNCC[C@@H]1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM537979 (US11248003, Example TRE-069) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1)C1CCNCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...				Citation and Details BindingDB Entry DOI: 10.7270/Q28G8PWW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105743 (4-[3-(1-Benzyl-piperidin-4-yl)-5-(4-fluoro-phenyl)...) Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504424 (2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504424 (2-{5-[(3-Ethoxy-5-fluoropyridin-2-yl)oxy]pyridin-3...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50563177 (CHEMBL4763182) Show SMILES Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113232 BindingDB Entry DOI: 10.7270/Q22J6GMW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105763 (CHEMBL420081 | D3RKN_10 | Ethyl-{4-[5-(4-fluoro-ph...) Show SMILES CCNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN6/c1-3-23-21-24-11-8-18(26-21)20-19(15-4-6-16(22)7-5-15)25-14-28(20)17-9-12-27(2)13-10-17/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3,(H,23,24,26)	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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of EGFR kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p56 Lck kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504484 (2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504484 (2-{5-[(3-Ethoxypyridin-2-yl)oxy]pyridin-3-yl}-N-[(...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CNC[C@@H](F)C1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105751 (4-[4-(4-Fluoro-phenyl)-5-(2-phenoxy-pyrimidin-4-yl...) Show SMILES O[C@H]1CC[C@@H](CC1)n1cnc(c1-c1ccnc(Oc2ccccc2)n1)-c1ccc(F)cc1 |wU:1.0,wD:4.7,(11.06,4.43,;10.77,2.91,;11.93,1.91,;11.64,.4,;10.17,-.1,;9.02,.89,;9.31,2.4,;9.88,-1.62,;10.93,-2.74,;10.21,-4.09,;8.7,-3.8,;8.5,-2.27,;7.17,-1.48,;7.2,.06,;5.87,.86,;4.53,.13,;4.5,-1.42,;3.16,-2.18,;1.83,-1.38,;.5,-2.15,;-.82,-1.36,;-.81,.18,;.54,.93,;1.87,.16,;5.82,-2.22,;7.63,-4.91,;6.14,-4.53,;5.06,-5.63,;5.49,-7.1,;4.43,-8.22,;6.98,-7.48,;8.06,-6.39,)| Show InChI InChI=1S/C25H23FN4O2/c26-18-8-6-17(7-9-18)23-24(30(16-28-23)19-10-12-20(31)13-11-19)22-14-15-27-25(29-22)32-21-4-2-1-3-5-21/h1-9,14-16,19-20,31H,10-13H2/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276752 (2-(5-((3-ethoxypyridin- 2-yl)oxy)pyridin-3-yl)-N-(...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1(C)CCS(=O)(=O)C1 Show InChI InChI=1S/C22H23N5O5S/c1-3-31-18-5-4-7-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2)6-8-33(29,30)14-22/h4-5,7,9-13H,3,6,8,14H2,1-2H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276752 (2-(5-((3-ethoxypyridin- 2-yl)oxy)pyridin-3-yl)-N-(...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1(C)CCS(=O)(=O)C1 Show InChI InChI=1S/C22H23N5O5S/c1-3-31-18-5-4-7-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2)6-8-33(29,30)14-22/h4-5,7,9-13H,3,6,8,14H2,1-2H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50125604 (1-[9-Benzyl-2-(2-fluoro-phenyl)-9H-purin-6-yl]-1-(...) Show SMILES NC(=O)N(c1nc(nc2n(Cc3ccccc3)cnc12)-c1ccccc1F)c1c(F)cccc1F Show InChI InChI=1S/C25H17F3N6O/c26-17-10-5-4-9-16(17)22-31-23-20(30-14-33(23)13-15-7-2-1-3-8-15)24(32-22)34(25(29)35)21-18(27)11-6-12-19(21)28/h1-12,14H,13H2,(H2,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human MAP p38-alpha kinase in vitro.				Bioorg Med Chem Lett 13: 1191-4 (2003) BindingDB Entry DOI: 10.7270/Q2MG7NW6
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276750 ((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276750 ((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PKC-beta2 kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50105761 (4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-...) Show SMILES CNc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(1.73,-1.85,;3.04,-2.64,;4.39,-1.89,;4.42,-.33,;5.75,.4,;7.08,-.4,;7.06,-1.94,;5.7,-2.68,;8.39,-2.74,;8.59,-4.27,;10.09,-4.56,;10.81,-3.2,;9.76,-2.08,;10.06,-.57,;11.53,-.05,;11.82,1.44,;10.65,2.44,;10.94,3.96,;9.19,1.94,;8.9,.42,;7.51,-5.38,;7.94,-6.86,;6.86,-7.94,;5.38,-7.57,;4.32,-8.69,;4.95,-6.1,;6.02,-5,)| Show InChI InChI=1S/C20H22FN5O/c1-22-20-23-11-10-17(25-20)19-18(13-2-4-14(21)5-3-13)24-12-26(19)15-6-8-16(27)9-7-15/h2-5,10-12,15-16,27H,6-9H2,1H3,(H,22,23,25)/t15-,16-	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	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50105742 (4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...) Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)| Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p56 Lck kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504495 (First-eluting isomer (see footnote 4 in Table 1); ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CC[C@@H](NC1)C(F)(F)F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2ZDN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM504495 (First-eluting isomer (see footnote 4 in Table 1); ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CC[C@@H](NC1)C(F)(F)F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 μL. To 1 ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22B9255
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15239 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of p38 alpha kinase				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15458 (4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...) Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition against Mitogen-activated protein kinase p38 alpha				Bioorg Med Chem Lett 11: 2867-70 (2001) BindingDB Entry DOI: 10.7270/Q28G8K1F
					More data for this Ligand-Target Pair

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