Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'sivaprakasam' and Initial = 'm'   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50235359 (CHEMBL4088242) Show SMILES CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O |r| Show InChI InChI=1S/C15H19N5O4S/c1-3-9(2)24-14-12(8-21)13(16)19-15(20-14)18-10-4-6-11(7-5-10)25(17,22)23/h4-9H,3H2,1-2H3,(H2,17,22,23)(H3,16,18,19,20)/t9-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235343 (CHEMBL4103249) Show SMILES CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C15H18N6O3S/c1-3-9(2)24-14-12-13(18-8-17-12)20-15(21-14)19-10-4-6-11(7-5-10)25(16,22)23/h4-9H,3H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235335 (CHEMBL4092981) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nn[nH]c3n2)cc1 Show InChI InChI=1S/C17H21N7O3S/c18-28(25,26)13-8-6-12(7-9-13)19-17-20-15-14(22-24-23-15)16(21-17)27-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,18,25,26)(H2,19,20,21,22,23,24)	PDB UniProtKB/SwissProt 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
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235348 (CHEMBL4078988) Show SMILES CC(C)COc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C15H18N6O3S/c1-9(2)7-24-14-12-13(18-8-17-12)20-15(21-14)19-10-3-5-11(6-4-10)25(16,22)23/h3-6,8-9H,7H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)	PDB UniProtKB/SwissProt 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50235342 (CHEMBL319467 | NU-6102) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 (Bos taurus)	BDBM50235346 (CHEMBL4102518) Show SMILES CCCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C14H16N6O3S/c1-2-7-23-13-11-12(17-8-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h3-6,8H,2,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235347 (CHEMBL4078246) Show SMILES CC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C14H16N6O3S/c1-8(2)23-13-11-12(17-7-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h3-8H,1-2H3,(H2,15,21,22)(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553217 (CHEMBL4761747) Show SMILES CN(C)S(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553212 (CHEMBL4763380) Show SMILES CN1CCc2ccc(Nc3nc(C#C)c4nc[nH]c4n3)cc2C1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235349 (CHEMBL4065402) Show SMILES CC(C)[Si](C#Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12)(C(C)C)C(C)C Show InChI InChI=1S/C22H30N6O2SSi/c1-14(2)32(15(3)4,16(5)6)12-11-19-20-21(25-13-24-20)28-22(27-19)26-17-7-9-18(10-8-17)31(23,29)30/h7-10,13-16H,1-6H3,(H2,23,29,30)(H2,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibition against angiotensin converting enzyme (ACE)				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEK2 by kinase-profiling analysis				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235336 (CHEMBL4085238) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cn[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)21-18-22-16-15(10-20-24-16)17(23-18)27-11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,19,25,26)(H2,20,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235344 (CHEMBL4086832) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC#C)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C14H12N6O3S/c1-2-7-23-13-11-12(17-8-16-11)19-14(20-13)18-9-3-5-10(6-4-9)24(15,21)22/h1,3-6,8H,7H2,(H2,15,21,22)(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibition against angiotensin converting enzyme (ACE)				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235354 (CHEMBL4069161) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C3CC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C14H14N6O2S/c15-23(21,22)10-5-3-9(4-6-10)18-14-19-11(8-1-2-8)12-13(20-14)17-7-16-12/h3-8H,1-2H2,(H2,15,21,22)(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235345 (CHEMBL4105278) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-8-6-12(7-9-13)21-17-22-14(11-4-2-1-3-5-11)15-16(23-17)20-10-19-15/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235337 (CHEMBL4062554) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3cc[nH]c3n2)cc1 Show InChI InChI=1S/C19H23N5O3S/c20-28(25,26)15-8-6-14(7-9-15)22-19-23-17-16(10-11-21-17)18(24-19)27-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H2,20,25,26)(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235340 (CHEMBL4101626) Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C13H14N6O3S/c1-2-22-12-10-11(16-7-15-10)18-13(19-12)17-8-3-5-9(6-4-8)23(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553200 (CHEMBL4796125) Show SMILES CNC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235355 (CHEMBL4081027) Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C18H16N6O3S/c1-27-13-4-2-3-11(9-13)15-16-17(21-10-20-16)24-18(23-15)22-12-5-7-14(8-6-12)28(19,25)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553205 (CHEMBL4743876) Show SMILES CC(=O)Nc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553213 (CHEMBL4779487) Show SMILES CN1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2CC1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235334 (CHEMBL4070391) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553201 (CHEMBL4775990) Show SMILES CN(C)C(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235356 (CHEMBL4097571) Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C18H16N6O3S/c1-27-13-6-2-11(3-7-13)15-16-17(21-10-20-16)24-18(23-15)22-12-4-8-14(9-5-12)28(19,25)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553198 (CHEMBL4796754) Show SMILES CN(C)C(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553215 (CHEMBL4783060) Show SMILES CS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553204 (CHEMBL4748191) Show SMILES CN(C)C(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553199 (CHEMBL4795738) Show SMILES CNC(=O)C(C(=O)NC)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553197 (CHEMBL4746054) Show SMILES CNC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553196 (CHEMBL4783265) Show SMILES CNC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553214 (CHEMBL4776787) Show SMILES CC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553195 (CHEMBL4746829) Show SMILES NC(=O)CCc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Aurora A (unknown origin) preincubated with enzyme for 15 mins followed by substrate/ATP challenge for 90 mins by ProfilerPro plate bas...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553209 (CHEMBL4761123) Show SMILES CN(C)C(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553208 (CHEMBL4776060) Show SMILES NC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50235343 (CHEMBL4103249) Show SMILES CCC(C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C15H18N6O3S/c1-3-9(2)24-14-12-13(18-8-17-12)20-15(21-14)19-10-4-6-11(7-5-10)25(16,22)23/h4-9H,3H2,1-2H3,(H2,16,22,23)(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK1/Cyclin B expressed in baculovirus infected Sf9 cells using PKTPKKAKKL-NH2 as substrate				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553210 (CHEMBL4754015) Show SMILES O=C1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2N1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553203 (CHEMBL4756141) Show SMILES CNC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553202 (CHEMBL4753609) Show SMILES NC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553194 (CHEMBL4759854) Show SMILES NC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NAUK1 by kinase-profiling analysis				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553216 (CHEMBL4754958) Show SMILES NS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50235361 (CHEMBL4074015) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50235350 (CHEMBL4094562) Show SMILES C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 Show InChI InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50235361 (CHEMBL4074015) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C13H10N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h1,3-7H,(H2,14,20,21)(H2,15,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEK2 by kinase-profiling analysis				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50235350 (CHEMBL4094562) Show SMILES C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 Show InChI InChI=1S/C13H9N5/c1-2-10-11-12(15-8-14-11)18-13(17-10)16-9-6-4-3-5-7-9/h1,3-8H,(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NEK2 by kinase-profiling analysis				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50553206 (CHEMBL4751371) Show SMILES CC(C)(C(N)=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphoryl...				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair
Cyclin-A2 (Bos taurus)	BDBM50235353 (CHEMBL4090226) Show SMILES CCc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12 Show InChI InChI=1S/C13H14N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h3-7H,2H2,1H3,(H2,14,20,21)(H2,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				J Med Chem 60: 1746-1767 (2017) Article DOI: 10.1021/acs.jmedchem.6b01254 BindingDB Entry DOI: 10.7270/Q2833V86
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human JAK2 by kinase-profiling analysis				Citation and Details Article DOI: 10.1039/d0md00074d BindingDB Entry DOI: 10.7270/Q2P272RV
					More data for this Ligand-Target Pair

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