Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50012007   

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
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
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
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
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
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
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))	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))	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))	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))	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))	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
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))	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))	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))	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))	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 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
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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TAK1 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
Mitogen-activated protein kinase kinase kinase 9 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MLK1 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
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MLK3 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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MKK1 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 Chk1 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ChK1 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 TBK1 (Homo sapiens (Human))	BDBM50553207 (CHEMBL4786783) Show SMILES NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TBK1 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))	BDBM50347863 (CHEMBL1802870) Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6| Show InChI InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NEK2 (unknown origin)				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))	BDBM50553211 (CHEMBL4785527) Show SMILES O=C1Cc2cccc(Nc3nc(C#C)c4nc[nH]c4n3)c2N1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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
Cytoplasmic tyrosine-protein kinase BMX (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 antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BMX (unknown origin) preincubated with enzyme for 15 mins followed by substrate/ATP challenge for 90 mins by ProfilerPro plate based la...				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))	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 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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Aurora A 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 Chk2 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ChK2 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
Ribosomal protein S6 kinase beta-1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human P70S6K 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 Chk2 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ChK2 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 Chk1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ChK1 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
Glycogen synthase kinase-3 beta (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 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	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta 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-dependent kinase 1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK1 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
Proto-oncogene tyrosine-protein kinase Src (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human SRC 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 Chk1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ChK1 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))	BDBM50553218 (CHEMBL4755796) Show SMILES N#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.20E+4	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				3D Structure (crystal)

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