Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50020323   

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))	BDBM50212488 (4'-{7-methoxy-6-[(2-pyrrolidin-1-yl-ethylamino)-me...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CNCCN1CCCC1 Show InChI InChI=1S/C30H32N4O2/c1-36-28-18-26-23(16-24(28)19-31-12-15-34-13-2-3-14-34)17-27-29(32-33-30(26)27)22-6-4-20(5-7-22)21-8-10-25(35)11-9-21/h4-11,16,18,31,35H,2-3,12-15,17,19H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212496 (3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihydro...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N[C@H]1CC[C@H](O)CC1 |wU:30.34,wD:33.38,(18.38,-1.88,;18.38,-3.42,;19.72,-4.19,;21.04,-3.42,;22.38,-4.18,;22.38,-5.73,;23.86,-6.21,;24.77,-4.97,;26.25,-4.49,;26.25,-2.93,;24.77,-2.45,;23.85,-3.7,;27.5,-5.39,;27.33,-6.92,;28.57,-7.83,;29.98,-7.2,;30.14,-5.66,;28.89,-4.76,;31.22,-8.1,;31.06,-9.64,;32.31,-10.54,;33.71,-9.91,;34.96,-10.82,;33.87,-8.37,;32.62,-7.48,;21.05,-6.51,;19.71,-5.73,;18.38,-6.5,;18.38,-8.04,;17.05,-5.73,;15.71,-6.5,;15.72,-8.03,;14.38,-8.8,;13.05,-8.02,;11.71,-8.79,;13.06,-6.48,;14.39,-5.72,)| Show InChI InChI=1S/C30H29N3O4/c1-37-27-16-24-20(14-25(27)30(36)31-21-8-12-23(35)13-9-21)15-26-28(32-33-29(24)26)19-4-2-17(3-5-19)18-6-10-22(34)11-7-18/h2-7,10-11,14,16,21,23,34-35H,8-9,12-13,15H2,1H3,(H,31,36)(H,32,33)/t21-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212497 (CHEMBL234868 | [3-(4'-hydroxy-biphenyl-4-yl)-7-met...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N1CCC(O)CC1 Show InChI InChI=1S/C29H27N3O4/c1-36-26-16-23-20(14-24(26)29(35)32-12-10-22(34)11-13-32)15-25-27(30-31-28(23)25)19-4-2-17(3-5-19)18-6-8-21(33)9-7-18/h2-9,14,16,22,33-34H,10-13,15H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212502 (4'-{6-[(2-hydroxy-ethylamino)-methyl]-7-methoxy-1,...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CNCCO Show InChI InChI=1S/C26H25N3O3/c1-32-24-14-22-19(12-20(24)15-27-10-11-30)13-23-25(28-29-26(22)23)18-4-2-16(3-5-18)17-6-8-21(31)9-7-17/h2-9,12,14,27,30-31H,10-11,13,15H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212505 (4'-[7-methoxy-6-(4-methyl-piperazin-1-ylmethyl)-1,...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CN1CCN(C)CC1 Show InChI InChI=1S/C29H30N4O2/c1-32-11-13-33(14-12-32)18-23-15-22-16-26-28(30-31-29(26)25(22)17-27(23)35-2)21-5-3-19(4-6-21)20-7-9-24(34)10-8-20/h3-10,15,17,34H,11-14,16,18H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212516 (CHEMBL232808 | [3-(4'-hydroxy-biphenyl-4-yl)-7-met...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N1CCOCC1 Show InChI InChI=1S/C28H25N3O4/c1-34-25-16-22-20(14-23(25)28(33)31-10-12-35-13-11-31)15-24-26(29-30-27(22)24)19-4-2-17(3-5-19)18-6-8-21(32)9-7-18/h2-9,14,16,32H,10-13,15H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212484 (4'-{6-[(4-hydroxy-cyclohexylamino)-methyl]-7-metho...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CN[C@H]1CC[C@H](O)CC1 |wU:29.33,wD:32.37,(19.25,-18.66,;19.25,-20.2,;20.59,-20.97,;21.91,-20.2,;23.25,-20.96,;23.25,-22.51,;24.72,-22.99,;25.64,-21.74,;27.12,-21.26,;27.12,-19.71,;25.64,-19.22,;24.72,-20.48,;28.36,-22.17,;28.19,-23.7,;29.44,-24.6,;30.85,-23.98,;31.01,-22.44,;29.76,-21.54,;32.09,-24.88,;31.93,-26.41,;33.17,-27.32,;34.58,-26.69,;35.83,-27.59,;34.74,-25.15,;33.49,-24.25,;21.92,-23.28,;20.58,-22.51,;19.25,-23.28,;17.92,-22.51,;16.58,-23.28,;16.59,-24.81,;15.25,-25.58,;13.92,-24.8,;12.58,-25.56,;13.93,-23.26,;15.26,-22.5,)| Show InChI InChI=1S/C30H31N3O3/c1-36-28-16-26-21(14-22(28)17-31-23-8-12-25(35)13-9-23)15-27-29(32-33-30(26)27)20-4-2-18(3-5-20)19-6-10-24(34)11-7-19/h2-7,10-11,14,16,23,25,31,34-35H,8-9,12-13,15,17H2,1H3,(H,32,33)/t23-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212491 (CHEMBL234656 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4...) Show SMILES OCCNCC(=O)Nc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C26H24N4O3/c31-12-11-27-15-24(33)28-20-7-10-22-19(13-20)14-23-25(29-30-26(22)23)18-3-1-16(2-4-18)17-5-8-21(32)9-6-17/h1-10,13,27,31-32H,11-12,14-15H2,(H,28,33)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212503 (3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihydro...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C30H30N4O3/c1-37-27-18-24-22(16-25(27)30(36)31-12-15-34-13-2-3-14-34)17-26-28(32-33-29(24)26)21-6-4-19(5-7-21)20-8-10-23(35)11-9-20/h4-11,16,18,35H,2-3,12-15,17H2,1H3,(H,31,36)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212519 (1-[3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihy...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1CN1CCC(O)CC1 Show InChI InChI=1S/C29H29N3O3/c1-35-27-16-25-21(14-22(27)17-32-12-10-24(34)11-13-32)15-26-28(30-31-29(25)26)20-4-2-18(3-5-20)19-6-8-23(33)9-7-19/h2-9,14,16,24,33-34H,10-13,15,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212514 (CHEMBL234654 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4...) Show SMILES O[C@H]1CC[C@@H](CC1)NCC(=O)Nc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(-6.95,-26.22,;-6.96,-27.76,;-8.3,-28.52,;-8.3,-30.07,;-6.97,-30.84,;-5.63,-30.07,;-5.63,-28.54,;-6.97,-32.38,;-5.64,-33.15,;-4.3,-32.38,;-4.3,-30.84,;-2.97,-33.15,;-1.64,-32.38,;-1.64,-30.84,;-.31,-30.07,;1.03,-30.83,;1.03,-32.38,;2.5,-32.86,;3.42,-31.61,;4.9,-31.13,;4.9,-29.57,;3.42,-29.09,;2.5,-30.35,;6.14,-32.04,;5.98,-33.57,;7.22,-34.47,;8.63,-33.85,;8.79,-32.31,;7.54,-31.41,;9.87,-34.75,;9.71,-36.28,;10.95,-37.19,;12.36,-36.56,;13.61,-37.46,;12.52,-35.02,;11.27,-34.12,;-.3,-33.15,)| Show InChI InChI=1S/C30H30N4O3/c35-24-10-5-19(6-11-24)18-1-3-20(4-2-18)29-27-16-21-15-23(9-14-26(21)30(27)34-33-29)32-28(37)17-31-22-7-12-25(36)13-8-22/h1-6,9-11,14-15,22,25,31,35-36H,7-8,12-13,16-17H2,(H,32,37)(H,33,34)/t22-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212501 (2-butylamino-N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...) Show SMILES CCCCNCC(=O)Nc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C28H28N4O2/c1-2-3-14-29-17-26(34)30-22-10-13-24-21(15-22)16-25-27(31-32-28(24)25)20-6-4-18(5-7-20)19-8-11-23(33)12-9-19/h4-13,15,29,33H,2-3,14,16-17H2,1H3,(H,30,34)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212520 (CHEMBL444630 | [3-(4'-hydroxy-biphenyl-4-yl)-7-met...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H28N4O3/c1-32-11-13-33(14-12-32)29(35)24-15-21-16-25-27(30-31-28(25)23(21)17-26(24)36-2)20-5-3-18(4-6-20)19-7-9-22(34)10-8-19/h3-10,15,17,34H,11-14,16H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212485 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES CNC(=O)c1ccc2Cc3c(n[nH]c3-c2c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C24H19N3O2/c1-25-24(29)18-7-6-17-12-21-22(26-27-23(21)20(17)13-18)16-4-2-14(3-5-16)15-8-10-19(28)11-9-15/h2-11,13,28H,12H2,1H3,(H,25,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91964 (CHEMBL391449 | Chk1_95) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(O)ccc-21 Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91827 (CHEMBL232804 | Chk1_101) Show SMILES OCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1 Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212498 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES OCCNC(=O)c1ccc2Cc3c(n[nH]c3-c2c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H21N3O3/c29-12-11-26-25(31)19-6-5-18-13-22-23(27-28-24(22)21(18)14-19)17-3-1-15(2-4-17)16-7-9-20(30)10-8-16/h1-10,14,29-30H,11-13H2,(H,26,31)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212492 (4'-{7-[(2-dimethylamino-ethylamino)-methyl]-1,4-di...) Show SMILES CN(C)CCNCc1ccc2Cc3c(n[nH]c3-c2c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C27H28N4O/c1-31(2)14-13-28-17-18-3-4-22-16-25-26(29-30-27(25)24(22)15-18)21-7-5-19(6-8-21)20-9-11-23(32)12-10-20/h3-12,15,28,32H,13-14,16-17H2,1-2H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212487 (CHEMBL232391 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4...) Show SMILES CC(=O)Nc1cccc-2c1Cc1c(n[nH]c-21)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C24H19N3O2/c1-14(28)25-22-4-2-3-19-20(22)13-21-23(26-27-24(19)21)17-7-5-15(6-8-17)16-9-11-18(29)12-10-16/h2-12,29H,13H2,1H3,(H,25,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212515 (CHEMBL234482 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(NC(=O)CNCc3ccncc3)ccc-21 Show InChI InChI=1S/C30H25N5O2/c36-25-8-5-21(6-9-25)20-1-3-22(4-2-20)29-27-16-23-15-24(7-10-26(23)30(27)35-34-29)33-28(37)18-32-17-19-11-13-31-14-12-19/h1-15,32,36H,16-18H2,(H,33,37)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212500 (4'-{7-[(2-pyrrolidin-1-yl-ethylamino)-methyl]-1,4-...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1ccc(CNCCN3CCCC3)cc-21 Show InChI InChI=1S/C29H30N4O/c34-25-11-9-22(10-12-25)21-5-7-23(8-6-21)28-27-18-24-4-3-20(17-26(24)29(27)32-31-28)19-30-13-16-33-14-1-2-15-33/h3-12,17,30,34H,1-2,13-16,18-19H2,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212489 (4'-(6-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...) Show SMILES OCc1ccc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-10-20-18(11-14)12-21-22(24-25-23(20)21)17-4-2-15(3-5-17)16-6-8-19(27)9-7-16/h1-11,26-27H,12-13H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212495 (4'-(5-(hydroxymethyl)-1,4-dihydroindeno[1,2-c]pyra...) Show SMILES OCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O2/c26-13-17-2-1-3-19-20(17)12-21-22(24-25-23(19)21)16-6-4-14(5-7-16)15-8-10-18(27)11-9-15/h1-11,26-27H,12-13H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212512 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H22N4O2/c34-24-11-8-19(9-12-24)18-4-6-20(7-5-18)27-26-16-22-15-21(10-13-25(22)28(26)33-32-27)29(35)31-17-23-3-1-2-14-30-23/h1-15,34H,16-17H2,(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212486 (4'-{7-[(2-hydroxy-ethylamino)-methyl]-1,4-dihydro-...) Show SMILES OCCNCc1ccc2Cc3c(n[nH]c3-c2c1)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H23N3O2/c29-12-11-26-15-16-1-2-20-14-23-24(27-28-25(23)22(20)13-16)19-5-3-17(4-6-19)18-7-9-21(30)10-8-18/h1-10,13,26,29-30H,11-12,14-15H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212490 (3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-4,4-dimethy...) Show SMILES COc1cc-2c(cc1C(=O)N[C@H]1CC[C@H](O)CC1)C(C)(C)c1c(n[nH]c-21)-c1ccc(cc1)-c1ccc(O)cc1 |wU:11.11,wD:14.15,(-3.5,5.22,;-3.5,3.68,;-2.16,2.91,;-.84,3.68,;.5,2.91,;.5,1.36,;-.83,.59,;-2.17,1.36,;-3.5,.6,;-3.5,-.94,;-4.83,1.37,;-6.17,.6,;-6.17,-.94,;-7.51,-1.7,;-8.84,-.93,;-10.18,-1.69,;-8.84,.61,;-7.51,1.37,;1.97,.89,;3.45,.49,;1.11,-.39,;2.88,2.14,;4.36,2.62,;4.36,4.17,;2.89,4.65,;1.97,3.39,;5.6,1.72,;5.43,.19,;6.67,-.72,;8.08,-.1,;8.24,1.44,;7,2.34,;9.33,-1,;9.16,-2.53,;10.41,-3.43,;11.82,-2.81,;13.06,-3.71,;11.97,-1.27,;10.73,-.37,)| Show InChI InChI=1S/C32H33N3O4/c1-32(2)26-16-25(31(38)33-21-10-14-23(37)15-11-21)27(39-3)17-24(26)30-28(32)29(34-35-30)20-6-4-18(5-7-20)19-8-12-22(36)13-9-19/h4-9,12-13,16-17,21,23,36-37H,10-11,14-15H2,1-3H3,(H,33,38)(H,34,35)/t21-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212507 (4'-[6-(4-methyl-piperazin-1-ylmethyl)-1,4-dihydro-...) Show SMILES CN1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1 Show InChI InChI=1S/C28H28N4O/c1-31-12-14-32(15-13-31)18-19-2-11-25-23(16-19)17-26-27(29-30-28(25)26)22-5-3-20(4-6-22)21-7-9-24(33)10-8-21/h2-11,16,33H,12-15,17-18H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212506 (3-(3'-fluoro-4'-hydroxy-biphenyl-4-yl)-7-methoxy-1...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)c(F)c2)cc1C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H23FN4O3/c1-38-27-15-22-20(12-23(27)30(37)33-16-21-4-2-3-11-32-21)13-24-28(34-35-29(22)24)18-7-5-17(6-8-18)19-9-10-26(36)25(31)14-19/h2-12,14-15,36H,13,16H2,1H3,(H,33,37)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212509 (3-fluoro-4'-[7-methoxy-6-(4-methyl-piperazin-1-ylm...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)c(F)c2)cc1CN1CCN(C)CC1 Show InChI InChI=1S/C29H29FN4O2/c1-33-9-11-34(12-10-33)17-22-13-21-14-24-28(31-32-29(24)23(21)16-27(22)36-2)19-5-3-18(4-6-19)20-7-8-26(35)25(30)15-20/h3-8,13,15-16,35H,9-12,14,17H2,1-2H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212518 (4'-[7-(tert-butylamino-methyl)-1,4-dihydro-indeno[...) Show SMILES CC(C)(C)NCc1ccc2Cc3c([nH]nc3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1 Show InChI InChI=1S/C27H27N3O/c1-27(2,3)28-16-17-4-5-21-15-24-25(29-30-26(24)23(21)14-17)20-8-6-18(7-9-20)19-10-12-22(31)13-11-19/h4-14,28,31H,15-16H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212510 (CHEMBL232807 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1ccc(cc-21)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H23N3O3/c31-22-9-7-18(8-10-22)17-1-3-19(4-2-17)25-24-15-20-5-6-21(16-23(20)26(24)29-28-25)27(32)30-11-13-33-14-12-30/h1-10,16,31H,11-15H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212513 (4'-{5-[(2,2-dimethyl-propylamino)-methyl]-1,4-dihy...) Show SMILES CC(C)(C)CNCc1cccc-2c1Cc1c-2[nH]nc1-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C28H29N3O/c1-28(2,3)17-29-16-21-5-4-6-23-24(21)15-25-26(30-31-27(23)25)20-9-7-18(8-10-20)19-11-13-22(32)14-12-19/h4-14,29,32H,15-17H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212517 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cccc(O)c-21 Show InChI InChI=1S/C22H16N2O2/c25-17-10-8-14(9-11-17)13-4-6-15(7-5-13)21-18-12-16-2-1-3-19(26)20(16)22(18)24-23-21/h1-11,25-26H,12H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	671	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212494 (4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-bipheny...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1ccccc-21 Show InChI InChI=1S/C22H16N2O/c25-18-11-9-15(10-12-18)14-5-7-16(8-6-14)21-20-13-17-3-1-2-4-19(17)22(20)24-23-21/h1-12,25H,13H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212504 (3-(3'-cyano-4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,...) Show SMILES COc1cc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)-c2ccc(O)c(c2)C#N)cc1C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H23N5O3/c1-39-28-15-24-21(13-25(28)31(38)34-17-23-4-2-3-11-33-23)14-26-29(35-36-30(24)26)19-7-5-18(6-8-19)20-9-10-27(37)22(12-20)16-32/h2-13,15,37H,14,17H2,1H3,(H,34,38)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212521 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1c-2cccc1C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H23N3O2/c34-23-15-13-21(14-16-23)20-9-11-22(12-10-20)28-27-17-26-24(29(27)33-32-28)7-4-8-25(26)30(35)31-18-19-5-2-1-3-6-19/h1-16,34H,17-18H2,(H,31,35)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212508 (4-hydroxy-4'-[7-methoxy-6-(4-methyl-piperazin-1-yl...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)c(c2)C#N)cc1CN1CCN(C)CC1 Show InChI InChI=1S/C30H29N5O2/c1-34-9-11-35(12-10-34)18-24-14-22-15-26-29(32-33-30(26)25(22)16-28(24)37-2)20-5-3-19(4-6-20)21-7-8-27(36)23(13-21)17-31/h3-8,13-14,16,36H,9-12,15,18H2,1-2H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50212493 (3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cccc-2c1Cc1c(n[nH]c-21)-c1ccc(cc1)-c1ccc(O)cc1 |wU:1.0,wD:4.7,(-10.18,-11.07,;-8.85,-11.84,;-7.51,-11.08,;-6.19,-11.85,;-6.18,-13.38,;-7.52,-14.16,;-8.85,-13.38,;-4.85,-14.15,;-3.52,-13.38,;-2.18,-14.15,;-3.52,-11.84,;-4.85,-11.07,;-4.85,-9.53,;-3.52,-8.76,;-2.18,-9.52,;-2.18,-11.07,;-.71,-11.55,;.21,-10.3,;1.69,-9.82,;1.69,-8.26,;.21,-7.78,;-.71,-9.04,;2.93,-10.73,;2.76,-12.26,;4.01,-13.16,;5.42,-12.54,;5.58,-11,;4.33,-10.1,;6.66,-13.44,;6.5,-14.97,;7.74,-15.88,;9.15,-15.25,;10.4,-16.15,;9.31,-13.71,;8.06,-12.81,)| Show InChI InChI=1S/C29H27N3O3/c33-21-12-8-18(9-13-21)17-4-6-19(7-5-17)27-26-16-25-23(28(26)32-31-27)2-1-3-24(25)29(35)30-20-10-14-22(34)15-11-20/h1-9,12-13,20,22,33-34H,10-11,14-16H2,(H,30,35)(H,31,32)/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins				Bioorg Med Chem Lett 17: 3618-23 (2007) Article DOI: 10.1016/j.bmcl.2007.04.055 BindingDB Entry DOI: 10.7270/Q2DR2V6Q
					More data for this Ligand-Target Pair				3D Structure (docked)