Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'fisher' and Initial = 'lm'   

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 Chk1 (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	26	-44.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	659	-35.9	n/a	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8.58E+3	-29.4	n/a	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50197073 (3-amino-7-((R)-3-((S)-1-aminoethyl)pyrrolidin-1-yl...) Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1c(F)cc2c(c1C)n(C1CC1)c(=O)n(N)c2=O |r| Show InChI InChI=1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...				J Med Chem 63: 7773-7816 (2020) Article DOI: 10.1021/acs.jmedchem.0c00347 BindingDB Entry DOI: 10.7270/Q2MW2MQS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50542206 (CHEMBL4640061) Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2ccc(=O)n(C3CC3)c2c1C)[C@H](C)N |r| Show InChI InChI=1S/C19H24FN3O/c1-11-18-13(3-6-17(24)23(18)15-4-5-15)9-16(20)19(11)22-8-7-14(10-22)12(2)21/h3,6,9,12,14-15H,4-5,7-8,10,21H2,1-2H3/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...				J Med Chem 63: 7773-7816 (2020) Article DOI: 10.1021/acs.jmedchem.0c00347 BindingDB Entry DOI: 10.7270/Q2MW2MQS
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	443	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...				J Med Chem 63: 7773-7816 (2020) Article DOI: 10.1021/acs.jmedchem.0c00347 BindingDB Entry DOI: 10.7270/Q2MW2MQS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	744	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	845	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50542207 (CHEMBL4634552) Show SMILES Cc1c(N2CC3CC3(N)C2)c(F)cc2c(CN)c(F)c(=O)n(C3CC3)c12 Show InChI InChI=1S/C19H22F2N4O/c1-9-16-12(13(6-22)15(21)18(26)25(16)11-2-3-11)4-14(20)17(9)24-7-10-5-19(10,23)8-24/h4,10-11H,2-3,5-8,22-23H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...				J Med Chem 63: 7773-7816 (2020) Article DOI: 10.1021/acs.jmedchem.0c00347 BindingDB Entry DOI: 10.7270/Q2MW2MQS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14805 (3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM14805 (3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14803 (2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566539 (CHEMBL4860033) Show SMILES Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C#N)c(=O)n(C3CC3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50542205 (CHEMBL4643875) Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c2c1C)[C@H](C)N |r| Show InChI InChI=1S/C20H24FN3O3/c1-10-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(10)23-6-5-12(9-23)11(2)22/h7-8,11-12,14H,3-6,9,22H2,1-2H3,(H,26,27)/t11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...				J Med Chem 63: 7773-7816 (2020) Article DOI: 10.1021/acs.jmedchem.0c00347 BindingDB Entry DOI: 10.7270/Q2MW2MQS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM14804 (1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM14803 (2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-...				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14804 (1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...) Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14801 (2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)...) Show SMILES CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566543 (CHEMBL4864037) Show SMILES Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3nnco3)c(=O)n(C3CC3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM16591 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.83E+3	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566538 (CHEMBL4875315) Show SMILES Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(C(N)=O)c(=O)n(C3CC3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566541 (CHEMBL4867915) Show SMILES Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3n[nH]c(=O)o3)c(=O)n(C3CC3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566542 (CHEMBL4878164) Show SMILES Cc1c(N2CC[C@H](C2)C2(N)CC2)c(F)cc2cc(-c3ncon3)c(=O)n(C3CC3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566546 (CHEMBL4875871) Show SMILES Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1n[nH]c(=O)o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14818 (2-{[7-(carboxymethoxy)-9-(hydroxyimino)-9H-fluoren...) Show SMILES OC(=O)COc1ccc-2c(c1)C(N=O)c1cc(OCC(O)=O)ccc-21 Show InChI InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,17H,7-8H2,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM16590 (2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12 Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14799 (2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin...) Show SMILES COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1 Show InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14823 (2-[(6-amino-9H-purin-8-yl)sulfanyl]acetamide | Asi...) Show SMILES NC(=O)CSc1nc2ncnc(N)c2[nH]1 Show InChI InChI=1S/C7H8N6OS/c8-3(14)1-15-7-12-4-5(9)10-2-11-6(4)13-7/h2H,1H2,(H2,8,14)(H3,9,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14815 (InterBioScreen compound 2 | N-(3-aminopropyl)-5-ch...) Show SMILES NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc23)c1F Show InChI InChI=1S/C21H18ClF2N3S/c22-18-17(19(23)21(27-20(18)24)26-11-5-10-25)16-12-6-1-3-8-14(12)28-15-9-4-2-7-13(15)16/h1-4,6-9,16H,5,10-11,25H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566544 (CHEMBL4852170) Show SMILES Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1cc(O)no1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14822 (4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1-propyl-1H-1,...) Show SMILES CCCn1nc(nc1-c1nonc1N)-c1nonc1N Show InChI InChI=1S/C9H11N9O2/c1-2-3-18-9(5-7(11)17-20-15-5)12-8(13-18)4-6(10)16-19-14-4/h2-3H2,1H3,(H2,10,16)(H2,11,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566545 (CHEMBL4861495) Show SMILES Cc1c(N2CCC(C2)C2(N)CC2)c(F)cc2c(cc(=O)n(C3CC3)c12)-c1noc(=S)[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14819 ((1E)-1-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylid...) Show SMILES Clc1cc2OCOc2cc1CN=Nc1nnc2c(n1)[nH]c1ccccc21 |w:12.14| Show InChI InChI=1S/C17H11ClN6O2/c18-11-6-14-13(25-8-26-14)5-9(11)7-19-23-17-21-16-15(22-24-17)10-3-1-2-4-12(10)20-16/h1-6H,7-8H2,(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14816 (6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1H,4H-pyr...) Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(O)c1 Show InChI InChI=1S/C14H12N4O3/c1-6-11-12(7-2-3-9(19)10(20)4-7)8(5-15)13(16)21-14(11)18-17-6/h2-4,8,12,16,19-20H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				Bioorg Med Chem 14: 4792-802 (2006) Article DOI: 10.1016/j.bmc.2006.03.021 BindingDB Entry DOI: 10.7270/Q2S46Q6S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14800 (2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...) Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14802 ((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acet...) Show SMILES OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP....				J Med Chem 48: 4332-45 (2005) Article DOI: 10.1021/jm049022c BindingDB Entry DOI: 10.7270/Q2WW7FXS
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16589 (4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	7.5	30
Vernalis (R&D) Ltd					Assay Description Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...				Bioorg Med Chem 14: 1792-804 (2006) Article DOI: 10.1016/j.bmc.2005.10.022 BindingDB Entry DOI: 10.7270/Q2154F9K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566510 (CHEMBL4860105) Show SMILES [H][C@]1(CCN(C1)c1c(F)cc2cc(O)c(=O)n(C3CC3)c2c1C)[C@H](C)N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO-K1 cells by Qpatch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00375 BindingDB Entry DOI: 10.7270/Q2KH0S2G
					More data for this Ligand-Target Pair

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