Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'hobza' and Initial = 'p'   

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 racemase (Mus musculus)	BDBM50038343 (CHEMBL3360546) Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of mouse serine racemase by Lineweaver-Burk plot				Eur J Med Chem 89: 189-97 (2014) Article DOI: 10.1016/j.ejmech.2014.10.043 BindingDB Entry DOI: 10.7270/Q22N53WK
					More data for this Ligand-Target Pair
Serine racemase (Mus musculus)	BDBM14673 (Fragment 3 | Malonic Acid | propanedioic acid) Show SMILES OC(=O)CC(O)=O Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of mouse serine racemase by Lineweaver-Burk plot				Eur J Med Chem 89: 189-97 (2014) Article DOI: 10.1016/j.ejmech.2014.10.043 BindingDB Entry DOI: 10.7270/Q22N53WK
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16313 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...) Show SMILES OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233206 (CHEMBL4059895) Show SMILES NC(=O)c1ccc(c(O)c1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C25H19BrN6O2/c26-20-14-30-32-23(29-13-15-2-1-9-28-12-15)11-21(31-25(20)32)17-5-3-16(4-6-17)19-8-7-18(24(27)34)10-22(19)33/h1-12,14,29,33H,13H2,(H2,27,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233212 (CHEMBL4076762) Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H24N6O/c1-2-19-17-31-33-25(30-16-18-4-3-13-29-15-18)14-24(32-27(19)33)22-9-5-20(6-10-22)21-7-11-23(12-8-21)26(28)34/h3-15,17,30H,2,16H2,1H3,(H2,28,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233207 (CHEMBL4098319) Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(C(N)=O)c(O)c1 Show InChI InChI=1S/C27H24N6O2/c1-2-18-16-31-33-25(30-15-17-4-3-11-29-14-17)13-23(32-27(18)33)20-7-5-19(6-8-20)21-9-10-22(26(28)35)24(34)12-21/h3-14,16,30,34H,2,15H2,1H3,(H2,28,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233211 (CHEMBL4103466) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C25H19BrN6O/c26-21-15-30-32-23(29-14-16-2-1-11-28-13-16)12-22(31-25(21)32)19-7-3-17(4-8-19)18-5-9-20(10-6-18)24(27)33/h1-13,15,29H,14H2,(H2,27,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233213 (CHEMBL4103343) Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C25H20BrN5O/c26-22-15-29-31-24(28-14-18-2-1-11-27-13-18)12-23(30-25(22)31)21-9-7-20(8-10-21)19-5-3-17(16-32)4-6-19/h1-13,15,28,32H,14,16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233966 (CHEMBL4080296) Show SMILES NC(=O)c1ccc(cc1O)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C25H19BrN6O2/c26-20-14-30-32-23(29-13-15-2-1-9-28-12-15)11-21(31-25(20)32)17-5-3-16(4-6-17)18-7-8-19(24(27)34)22(33)10-18/h1-12,14,29,33H,13H2,(H2,27,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233965 (CHEMBL4093993) Show SMILES NC(=O)c1ccc(cc1CCC#N)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C28H22BrN7O/c29-24-17-34-36-26(33-16-18-3-2-12-32-15-18)14-25(35-28(24)36)20-7-5-19(6-8-20)21-9-10-23(27(31)37)22(13-21)4-1-11-30/h2-3,5-10,12-15,17,33H,1,4,16H2,(H2,31,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233967 (CHEMBL4060905) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C27H23BrN6O/c1-33(2)27(35)22-11-7-20(8-12-22)19-5-9-21(10-6-19)24-14-25(30-16-18-4-3-13-29-15-18)34-26(32-24)23(28)17-31-34/h3-15,17,30H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50029207 ((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...) Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200221 (2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233214 (CHEMBL4086951) Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(CO)cc1 Show InChI InChI=1S/C27H25N5O/c1-2-21-17-30-32-26(29-16-20-4-3-13-28-15-20)14-25(31-27(21)32)24-11-9-23(10-12-24)22-7-5-19(18-33)6-8-22/h3-15,17,29,33H,2,16,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233960 (CHEMBL4102397) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C24H18BrN5O/c25-21-15-28-30-23(27-14-16-2-1-11-26-13-16)12-22(29-24(21)30)19-5-3-17(4-6-19)18-7-9-20(31)10-8-18/h1-13,15,27,31H,14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233319 (CHEMBL4094653) Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C24H19BrN6/c25-21-15-29-31-23(28-14-16-2-1-11-27-13-16)12-22(30-24(21)31)19-5-3-17(4-6-19)18-7-9-20(26)10-8-18/h1-13,15,28H,14,26H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104024 (MK315) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1F Show InChI InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104022 (MK319) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104022 (MK319) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200220 (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM200222 (2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl...) Show SMILES COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O Show InChI InChI=1S/C14H10Br4N2O5/c1-25-13-6(9(15)10(16)11(17)12(13)18)4-20-7(21)2-3-19(14(20)24)5-8(22)23/h2-3H,4-5H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233963 (CHEMBL4096185) Show SMILES Brc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H18BrN5/c25-21-16-28-30-23(27-15-17-5-4-12-26-14-17)13-22(29-24(21)30)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-14,16,27H,15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [L301M] (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM200220 (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM200220 (2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104021 (MK408) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(Br)cc1F Show InChI InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104025 (MK409) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)cc(I)cc1F Show InChI InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM104023 (MK257) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1 Show InChI InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.0	25
Academy of Sciences of the Czech Republic					Assay Description The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM N...				ACS Chem Biol 8: 2484-92 (2013) Article DOI: 10.1021/cb400526n BindingDB Entry DOI: 10.7270/Q2HH6HQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233210 (CHEMBL4082771) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1 Show InChI InChI=1S/C27H24N6O/c1-32(2)27(34)23-11-7-21(8-12-23)20-5-9-22(10-6-20)24-16-26(33-25(31-24)13-15-30-33)29-18-19-4-3-14-28-17-19/h3-17,29H,18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233208 (CHEMBL4069574) Show SMILES NC(=O)c1ccc(cc1O)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1 Show InChI InChI=1S/C25H20N6O2/c26-25(33)20-8-7-19(12-22(20)32)17-3-5-18(6-4-17)21-13-24(31-23(30-21)9-11-29-31)28-15-16-2-1-10-27-14-16/h1-14,28,32H,15H2,(H2,26,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM50012899 ((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...) Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1| Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM104022 (MK319) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233973 (CHEMBL4104651) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1 Show InChI InChI=1S/C24H19N5O/c30-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22-14-24(29-23(28-22)11-13-27-29)26-16-17-2-1-12-25-15-17/h1-15,26,30H,16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233970 (CHEMBL4079098) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1 Show InChI InChI=1S/C25H20N6O/c26-25(32)21-9-5-19(6-10-21)18-3-7-20(8-4-18)22-14-24(31-23(30-22)11-13-29-31)28-16-17-2-1-12-27-15-17/h1-15,28H,16H2,(H2,26,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 [K125R,V301L] (Homo sapiens (Human))	BDBM16238 (2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM104020 (MK181) Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire					Assay Description The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...				ACS Chem Biol 11: 2693-2705 (2016) Article DOI: 10.1021/acschembio.6b00382 BindingDB Entry DOI: 10.7270/Q2NG4PFZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50233910 (CHEMBL4074134) Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1 Show InChI InChI=1S/C24H20N6/c25-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22-14-24(30-23(29-22)11-13-28-30)27-16-17-2-1-12-26-15-17/h1-15,27H,16,25H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Masaryk University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Eur J Med Chem 126: 1118-1128 (2017) Article DOI: 10.1016/j.ejmech.2016.12.023 BindingDB Entry DOI: 10.7270/Q29C70PT
					More data for this Ligand-Target Pair

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