Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'syto' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444918 (CHEMBL3099753) Show SMILES COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H25ClN2O5/c1-37-17-22(14-19-6-11-23(33)12-7-19)31-28(34)27-16-25(29(35)36)24-15-20(8-13-26(24)32-27)3-2-18-4-9-21(30)10-5-18/h2-13,15-16,22,33H,14,17H2,1H3,(H,31,34)(H,35,36)/b3-2+/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31225 (2-phenoxybenzoyltryptophan derivative, R5C3) Show SMILES Cc1ccc2n(cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H28N2O6/c1-22-16-17-29-27(18-22)24(20-35(29)33(39)40-21-23-10-4-2-5-11-23)19-28(32(37)38)34-31(36)26-14-8-9-15-30(26)41-25-12-6-3-7-13-25/h2-18,20,28H,19,21H2,1H3,(H,34,36)(H,37,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444921 (CHEMBL3099750) Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H24ClN3O5/c1-31-27(35)25(15-19-6-11-21(34)12-7-19)33-28(36)26-16-23(29(37)38)22-14-18(8-13-24(22)32-26)3-2-17-4-9-20(30)10-5-17/h2-14,16,25,34H,15H2,1H3,(H,31,35)(H,33,36)(H,37,38)/b3-2+/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444933 (CHEMBL3099763) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444932 (CHEMBL3099764) Show SMILES CCCCCCc1ccc2nc(cc(C(O)=O)c2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r| Show InChI InChI=1S/C27H30N2O6/c1-3-4-5-6-7-17-10-13-22-20(14-17)21(26(32)33)16-23(28-22)25(31)29-24(27(34)35-2)15-18-8-11-19(30)12-9-18/h8-14,16,24,30H,3-7,15H2,1-2H3,(H,29,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444934 (CHEMBL3099762) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(CCc3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H25ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h4-14,16,26,33H,2-3,15H2,1H3,(H,32,34)(H,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444919 (CHEMBL3099752) Show SMILES COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H23F3N2O5/c1-38-15-20(11-16-5-8-21(34)9-6-16)32-26(35)25-14-23(27(36)37)22-13-18(7-10-24(22)33-25)17-3-2-4-19(12-17)28(29,30)31/h2-10,12-14,20,34H,11,15H2,1H3,(H,32,35)(H,36,37)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444935 (CHEMBL3099761) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H21F3N2O6/c1-39-27(38)24(11-15-5-8-19(34)9-6-15)33-25(35)23-14-21(26(36)37)20-13-17(7-10-22(20)32-23)16-3-2-4-18(12-16)28(29,30)31/h2-10,12-14,24,34H,11H2,1H3,(H,33,35)(H,36,37)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444941 (CHEMBL3099755) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H21ClN2O6/c1-36-27(35)24(11-15-5-8-19(31)9-6-15)30-25(32)23-14-21(26(33)34)20-13-17(7-10-22(20)29-23)16-3-2-4-18(28)12-16/h2-10,12-14,24,31H,11H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444920 (CHEMBL3099751) Show SMILES CN(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C30H26ClN3O5/c1-34(2)29(37)27(16-20-7-12-22(35)13-8-20)33-28(36)26-17-24(30(38)39)23-15-19(9-14-25(23)32-26)4-3-18-5-10-21(31)11-6-18/h3-15,17,27,35H,16H2,1-2H3,(H,33,36)(H,38,39)/b4-3+/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31224 (2-phenoxybenzoyltryptophan derivative, R5C2) Show SMILES Cc1ccc2n(cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1)C(=O)CCC1CCCC1 |r| Show InChI InChI=1S/C33H34N2O5/c1-22-15-17-29-27(19-22)24(21-35(29)31(36)18-16-23-9-5-6-10-23)20-28(33(38)39)34-32(37)26-13-7-8-14-30(26)40-25-11-3-2-4-12-25/h2-4,7-8,11-15,17,19,21,23,28H,5-6,9-10,16,18,20H2,1H3,(H,34,37)(H,38,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-38.0	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444938 (CHEMBL3099758) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H20Cl2N2O6/c1-37-27(36)24(8-14-2-5-19(32)6-3-14)31-25(33)23-13-21(26(34)35)20-11-15(4-7-22(20)30-23)16-9-17(28)12-18(29)10-16/h2-7,9-13,24,32H,8H2,1H3,(H,31,33)(H,34,35)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444922 (CHEMBL3099749) Show SMILES CCC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H25F3N2O4/c1-2-4-21(13-17-7-10-22(35)11-8-17)33-27(36)26-16-24(28(37)38)23-15-19(9-12-25(23)34-26)18-5-3-6-20(14-18)29(30,31)32/h3,5-12,14-16,21,35H,2,4,13H2,1H3,(H,33,36)(H,37,38)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31216 (2-phenoxybenzoyltryptophan derivative, R3C2) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H31FN2O5/c33-23-15-16-25-22(20-35(28(25)19-23)30(36)17-14-21-8-4-5-9-21)18-27(32(38)39)34-31(37)26-12-6-7-13-29(26)40-24-10-2-1-3-11-24/h1-3,6-7,10-13,15-16,19-21,27H,4-5,8-9,14,17-18H2,(H,34,37)(H,38,39)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	-36.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31209 (2-phenoxybenzoyltryptophan derivative, R1C3) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H25BrN2O6/c33-23-15-16-25-22(19-35(28(25)18-23)32(39)40-20-21-9-3-1-4-10-21)17-27(31(37)38)34-30(36)26-13-7-8-14-29(26)41-24-11-5-2-6-12-24/h1-16,18-19,27H,17,20H2,(H,34,36)(H,37,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	-35.7	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31226 (2-phenoxybenzoyltryptophan derivative, R5C4) Show SMILES Cc1ccc2n(Cc3ccc(OCc4ccccc4)cc3)cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1 |r| Show InChI InChI=1S/C39H34N2O5/c1-27-16-21-36-34(22-27)30(25-41(36)24-28-17-19-31(20-18-28)45-26-29-10-4-2-5-11-29)23-35(39(43)44)40-38(42)33-14-8-9-15-37(33)46-32-12-6-3-7-13-32/h2-22,25,35H,23-24,26H2,1H3,(H,40,42)(H,43,44)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31221 (2-phenoxybenzoyltryptophan derivative, R4C3) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C33H25N3O6/c34-19-23-15-16-29-27(17-23)24(20-36(29)33(40)41-21-22-9-3-1-4-10-22)18-28(32(38)39)35-31(37)26-13-7-8-14-30(26)42-25-11-5-2-6-12-25/h1-17,20,28H,18,21H2,(H,35,37)(H,38,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31220 (2-phenoxybenzoyltryptophan derivative, R4C2) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C33H31N3O5/c34-20-23-14-16-29-27(18-23)24(21-36(29)31(37)17-15-22-8-4-5-9-22)19-28(33(39)40)35-32(38)26-12-6-7-13-30(26)41-25-10-2-1-3-11-25/h1-3,6-7,10-14,16,18,21-22,28H,4-5,8-9,15,17,19H2,(H,35,38)(H,39,40)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31210 (2-phenoxybenzoyltryptophan derivative, R1C4) Show SMILES OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C38H31BrN2O5/c39-29-17-20-32-28(21-34(38(43)44)40-37(42)33-13-7-8-14-36(33)46-31-11-5-2-6-12-31)24-41(35(32)22-29)23-26-15-18-30(19-16-26)45-25-27-9-3-1-4-10-27/h1-20,22,24,34H,21,23,25H2,(H,40,42)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31213 (2-phenoxybenzoyltryptophan derivative, R2C3) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H25ClN2O6/c33-23-15-16-25-22(19-35(28(25)18-23)32(39)40-20-21-9-3-1-4-10-21)17-27(31(37)38)34-30(36)26-13-7-8-14-29(26)41-24-11-5-2-6-12-24/h1-16,18-19,27H,17,20H2,(H,34,36)(H,37,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444940 (CHEMBL3099756) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H21ClN2O6/c1-36-27(35)24(12-15-6-9-17(31)10-7-15)30-25(32)23-14-20(26(33)34)19-13-16(8-11-22(19)29-23)18-4-2-3-5-21(18)28/h2-11,13-14,24,31H,12H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31217 (2-phenoxybenzoyltryptophan derivative, R3C3) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H25FN2O6/c33-23-15-16-25-22(19-35(28(25)18-23)32(39)40-20-21-9-3-1-4-10-21)17-27(31(37)38)34-30(36)26-13-7-8-14-29(26)41-24-11-5-2-6-12-24/h1-16,18-19,27H,17,20H2,(H,34,36)(H,37,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31212 (2-phenoxybenzoyltryptophan derivative, R2C2) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H31ClN2O5/c33-23-15-16-25-22(20-35(28(25)19-23)30(36)17-14-21-8-4-5-9-21)18-27(32(38)39)34-31(37)26-12-6-7-13-29(26)40-24-10-2-1-3-11-24/h1-3,6-7,10-13,15-16,19-21,27H,4-5,8-9,14,17-18H2,(H,34,37)(H,38,39)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31208 (2-phenoxybenzoyltryptophan derivative, R1C2) Show SMILES OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C32H31BrN2O5/c33-23-15-16-25-22(20-35(28(25)19-23)30(36)17-14-21-8-4-5-9-21)18-27(32(38)39)34-31(37)26-12-6-7-13-29(26)40-24-10-2-1-3-11-24/h1-3,6-7,10-13,15-16,19-21,27H,4-5,8-9,14,17-18H2,(H,34,37)(H,38,39)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	-34.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444942 (CHEMBL3099754) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccs1 |r| Show InChI InChI=1S/C25H20N2O6S/c1-33-25(32)21(11-14-4-7-16(28)8-5-14)27-23(29)20-13-18(24(30)31)17-12-15(6-9-19(17)26-20)22-3-2-10-34-22/h2-10,12-13,21,28H,11H2,1H3,(H,27,29)(H,30,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444939 (CHEMBL3099757) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H21ClN2O6/c1-36-27(35)24(12-15-2-9-19(31)10-3-15)30-25(32)23-14-21(26(33)34)20-13-17(6-11-22(20)29-23)16-4-7-18(28)8-5-16/h2-11,13-14,24,31H,12H2,1H3,(H,30,32)(H,33,34)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31222 (2-phenoxybenzoyltryptophan derivative, R4C4) Show SMILES OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C39H31N3O5/c40-23-29-17-20-36-34(21-29)30(25-42(36)24-27-15-18-31(19-16-27)46-26-28-9-3-1-4-10-28)22-35(39(44)45)41-38(43)33-13-7-8-14-37(33)47-32-11-5-2-6-12-32/h1-21,25,35H,22,24,26H2,(H,41,43)(H,44,45)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31214 (2-phenoxybenzoyltryptophan derivative, R2C4) Show SMILES OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C38H31ClN2O5/c39-29-17-20-32-28(21-34(38(43)44)40-37(42)33-13-7-8-14-36(33)46-31-11-5-2-6-12-31)24-41(35(32)22-29)23-26-15-18-30(19-16-26)45-25-27-9-3-1-4-10-27/h1-20,22,24,34H,21,23,25H2,(H,40,42)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31218 (2-phenoxybenzoyltryptophan derivative, R3C4) Show SMILES OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C38H31FN2O5/c39-29-17-20-32-28(21-34(38(43)44)40-37(42)33-13-7-8-14-36(33)46-31-11-5-2-6-12-31)24-41(35(32)22-29)23-26-15-18-30(19-16-26)45-25-27-9-3-1-4-10-27/h1-20,22,24,34H,21,23,25H2,(H,40,42)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444928 (CHEMBL3099743) Show SMILES COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H20F4N2O5/c1-39-27(38)24(11-15-5-8-19(29)9-6-15)34-25(35)23-14-21(26(36)37)20-13-17(7-10-22(20)33-23)16-3-2-4-18(12-16)28(30,31)32/h2-10,12-14,24H,11H2,1H3,(H,34,35)(H,36,37)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444923 (CHEMBL3099748) Show SMILES C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H21F3N2O4/c1-15(11-16-5-8-20(33)9-6-16)31-25(34)24-14-22(26(35)36)21-13-18(7-10-23(21)32-24)17-3-2-4-19(12-17)27(28,29)30/h2-10,12-15,33H,11H2,1H3,(H,31,34)(H,35,36)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444936 (CHEMBL3099760) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)N1CCOCC1 |r| Show InChI InChI=1S/C25H25N3O7/c1-34-25(33)22(12-15-2-5-17(29)6-3-15)27-23(30)21-14-19(24(31)32)18-13-16(4-7-20(18)26-21)28-8-10-35-11-9-28/h2-7,13-14,22,29H,8-12H2,1H3,(H,27,30)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31207 (2-phenoxybenzoyltryptophan derivative, R1C1) Show SMILES OC(=O)[C@H](Cc1c[nH]c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C24H19BrN2O4/c25-16-10-11-18-15(14-26-20(18)13-16)12-21(24(29)30)27-23(28)19-8-4-5-9-22(19)31-17-6-2-1-3-7-17/h1-11,13-14,21,26H,12H2,(H,27,28)(H,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	-31.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31211 (2-phenoxybenzoyltryptophan derivative, R2C1) Show SMILES OC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C24H19ClN2O4/c25-16-10-11-18-15(14-26-20(18)13-16)12-21(24(29)30)27-23(28)19-8-4-5-9-22(19)31-17-6-2-1-3-7-17/h1-11,13-14,21,26H,12H2,(H,27,28)(H,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	-29.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444937 (CHEMBL3099759) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1 |r| Show InChI InChI=1S/C27H22N2O6/c1-35-27(34)24(13-16-7-10-19(30)11-8-16)29-25(31)23-15-21(26(32)33)20-14-18(9-12-22(20)28-23)17-5-3-2-4-6-17/h2-12,14-15,24,30H,13H2,1H3,(H,29,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31223 (2-phenoxybenzoyltryptophan derivative, R5C1) Show SMILES Cc1ccc2[nH]cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H22N2O4/c1-16-11-12-21-20(13-16)17(15-26-21)14-22(25(29)30)27-24(28)19-9-5-6-10-23(19)31-18-7-3-2-4-8-18/h2-13,15,22,26H,14H2,1H3,(H,27,28)(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31219 (2-phenoxybenzoyltryptophan derivative, R4C1) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C25H19N3O4/c26-14-16-10-11-21-20(12-16)17(15-27-21)13-22(25(30)31)28-24(29)19-8-4-5-9-23(19)32-18-6-2-1-3-7-18/h1-12,15,22,27H,13H2,(H,28,29)(H,30,31)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	-28.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444924 (CHEMBL3099747) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H19F3N2O6/c28-27(29,30)17-3-1-2-15(11-17)16-6-9-21-19(12-16)20(25(35)36)13-22(31-21)24(34)32-23(26(37)38)10-14-4-7-18(33)8-5-14/h1-9,11-13,23,33H,10H2,(H,32,34)(H,35,36)(H,37,38)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31215 (2-phenoxybenzoyltryptophan derivative, R3C1) Show SMILES OC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r| Show InChI InChI=1S/C24H19FN2O4/c25-16-10-11-18-15(14-26-20(18)13-16)12-21(24(29)30)27-23(28)19-8-4-5-9-22(19)31-17-6-2-1-3-7-17/h1-11,13-14,21,26H,12H2,(H,27,28)(H,29,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-26.6	n/a	n/a	n/a	n/a	n/a	7.4	23
Schering-Plough Research Institute					Assay Description Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1...				Anal Biochem 331: 138-46 (2004) Article DOI: 10.1016/j.ab.2004.03.009 BindingDB Entry DOI: 10.7270/Q2VX0DVV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444930 (CHEMBL3099766) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(N)=O)c2cc(ccc2n1)-c1cccs1 |r| Show InChI InChI=1S/C25H21N3O5S/c1-33-25(32)21(11-14-4-7-16(29)8-5-14)28-24(31)20-13-18(23(26)30)17-12-15(6-9-19(17)27-20)22-3-2-10-34-22/h2-10,12-13,21,29H,11H2,1H3,(H2,26,30)(H,28,31)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444925 (CHEMBL3099746) Show SMILES OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C23H18N2O4S/c26-16-6-3-14(4-7-16)9-10-24-22(27)20-13-18(23(28)29)17-12-15(5-8-19(17)25-20)21-2-1-11-30-21/h1-8,11-13,26H,9-10H2,(H,24,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444926 (CHEMBL3099745) Show SMILES COC(=O)[C@H](Cc1cccc(O)c1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H21F3N2O6/c1-39-27(38)24(11-15-4-2-7-19(34)10-15)33-25(35)23-14-21(26(36)37)20-13-17(8-9-22(20)32-23)16-5-3-6-18(12-16)28(29,30)31/h2-10,12-14,24,34H,11H2,1H3,(H,33,35)(H,36,37)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444931 (CHEMBL3099765) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(CO)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H23F3N2O5/c1-38-27(37)25(11-16-5-8-21(35)9-6-16)33-26(36)24-14-19(15-34)22-13-18(7-10-23(22)32-24)17-3-2-4-20(12-17)28(29,30)31/h2-10,12-14,25,34-35H,11,15H2,1H3,(H,33,36)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444927 (CHEMBL3099744) Show SMILES COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23F3N2O6/c1-39-20-9-6-16(7-10-20)12-25(28(38)40-2)34-26(35)24-15-22(27(36)37)21-14-18(8-11-23(21)33-24)17-4-3-5-19(13-17)29(30,31)32/h3-11,13-15,25H,12H2,1-2H3,(H,34,35)(H,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444929 (CHEMBL3099742) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)NS(C)(=O)=O)c2cc(ccc2n1)-c1cccs1 |r| Show InChI InChI=1S/C26H23N3O7S2/c1-36-26(33)22(12-15-5-8-17(30)9-6-15)28-25(32)21-14-19(24(31)29-38(2,34)35)18-13-16(7-10-20(18)27-21)23-4-3-11-37-23/h3-11,13-14,22,30H,12H2,1-2H3,(H,28,32)(H,29,31)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444934 (CHEMBL3099762) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(CCc3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H25ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h4-14,16,26,33H,2-3,15H2,1H3,(H,32,34)(H,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	25
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444933 (CHEMBL3099763) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(Cl)cc3)ccc2n1 |r| Show InChI InChI=1S/C29H23ClN2O6/c1-38-29(37)26(15-19-6-11-21(33)12-7-19)32-27(34)25-16-23(28(35)36)22-14-18(8-13-24(22)31-25)3-2-17-4-9-20(30)10-5-17/h2-14,16,26,33H,15H2,1H3,(H,32,34)(H,35,36)/b3-2+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444932 (CHEMBL3099764) Show SMILES CCCCCCc1ccc2nc(cc(C(O)=O)c2c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC |r| Show InChI InChI=1S/C27H30N2O6/c1-3-4-5-6-7-17-10-13-22-20(14-17)21(26(32)33)16-23(28-22)25(31)29-24(27(34)35-2)15-18-8-11-19(30)12-9-18/h8-14,16,24,30H,3-7,15H2,1-2H3,(H,29,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444928 (CHEMBL3099743) Show SMILES COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H20F4N2O5/c1-39-27(38)24(11-15-5-8-19(29)9-6-15)34-25(35)23-14-21(26(36)37)20-13-17(7-10-22(20)33-23)16-3-2-4-18(12-16)28(30,31)32/h2-10,12-14,24H,11H2,1H3,(H,34,35)(H,36,37)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	25
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444937 (CHEMBL3099759) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccccc1 |r| Show InChI InChI=1S/C27H22N2O6/c1-35-27(34)24(13-16-7-10-19(30)11-8-16)29-25(31)23-15-21(26(32)33)20-14-18(9-12-22(20)28-23)17-5-3-2-4-6-17/h2-12,14-15,24,30H,13H2,1H3,(H,29,31)(H,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	25
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair

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