Compile Data Set for Download or QSAR

Found 637 hits of ki for UniProtKB: A0A024RB77   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CDK2/CycE (Homo sapiens (Human))	BDBM370149 (US10233188, Example 37) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370115 (4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370197 (US10233188, Example 84) Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-17(22)29-19(30)6-5-15-12-23-21(26-20(15)29)25-16-7-10-28(11-8-16)34(32,33)18-13-27(2)14-24-18/h5-6,12-14,16-17,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t17-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370152 (US10233188, Example 40) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370205 (US10233188, Example 92) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370300 (US10233188, Example 187) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370207 (US10233188, Example 94) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C20H30N6O4S/c1-13-11-14-12-22-19(23-15-6-9-25(10-7-15)31(29,30)21-3)24-17(14)26(18(13)27)16-5-4-8-20(16,2)28/h11-12,15-16,21,28H,4-10H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370119 (US10233188, Example 8) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC(F)F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C21H30F2N6O4S/c1-21(31)7-3-4-16(21)29-18-14(10-13(19(29)30)11-17(22)23)12-25-20(27-18)26-15-5-8-28(9-6-15)34(32,33)24-2/h10,12,15-17,24,31H,3-9,11H2,1-2H3,(H,25,26,27)/t16-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370156 (US10233188, Example 44) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1 Show InChI InChI=1S/C19H28N6O3S/c1-13-4-3-5-16(13)25-17(26)7-6-14-12-21-19(23-18(14)25)22-15-8-10-24(11-9-15)29(27,28)20-2/h6-7,12-13,15-16,20H,3-5,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370147 (US10233188, Example 36) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370223 (US10233188, Example 110) Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370296 (US10233188, Example 183) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370195 (US10233188, Example 82) Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-18(22)29-19(30)6-5-15-12-23-21(26-20(15)29)25-16-7-10-28(11-8-16)34(32,33)17-13-24-27(2)14-17/h5-6,12-14,16,18,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t18-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370235 (US10233188, Example 122) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM81438 (CDK Inhibitor, 11) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1 Show InChI InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description Kinase assay using cyclin-dependant kinases (CDK).				Chem Biol 17: 1111-21 (2010) Article DOI: 10.1016/j.chembiol.2010.07.016 BindingDB Entry DOI: 10.7270/Q2BV7F3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (Homo sapiens (Human))	BDBM370121 (6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370225 (US10233188, Example 112) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C22H31N5O4S/c1-14-12-15-13-23-21(24-16-7-10-26(11-8-16)32(30,31)17-5-6-17)25-19(15)27(20(14)28)18-4-3-9-22(18,2)29/h12-13,16-18,29H,3-11H2,1-2H3,(H,23,24,25)/t18-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370314 (US10233188, Example 201) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370241 (US10233188, Example 128) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Cl)c1=O Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)6-2-3-14(18)25-15-11(9-13(19)16(25)26)10-21-17(23-15)22-12-4-7-24(8-5-12)30(20,28)29/h9-10,12,14,27H,2-8H2,1H3,(H2,20,28,29)(H,21,22,23)/t14-,18-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370164 (US10233188, Example 52) Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1 Show InChI InChI=1S/C21H31N5O4S/c1-15-4-3-5-18(15)26-19(27)7-6-16-14-22-21(24-20(16)26)23-17-8-10-25(11-9-17)31(28,29)13-12-30-2/h6-7,14-15,17-18H,3-5,8-13H2,1-2H3,(H,22,23,24)/t15-,18+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370334 (US10233188, Example 221) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370219 (US10233188, Example 106 | US10233188, Example 109) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370217 (US10233188, Example 104) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370229 (US10233188, Example 116) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C23H33N5O4S/c1-15-12-17-13-24-22(26-20(17)28(21(15)29)19-4-3-9-23(19,2)30)25-18-7-10-27(11-8-18)33(31,32)14-16-5-6-16/h12-13,16,18-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t19-,23-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370233 (US10233188, Example 120) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC#N)c1=O Show InChI InChI=1S/C21H28N6O4S/c1-21(29)8-3-4-17(21)27-18-15(12-14(5-9-22)19(27)28)13-23-20(25-18)24-16-6-10-26(11-7-16)32(2,30)31/h12-13,16-17,29H,3-8,10-11H2,1-2H3,(H,23,24,25)/t17-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370120 (6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370219 (US10233188, Example 106 | US10233188, Example 109) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370243 (US10233188, Example 130) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C20H28F2N6O4S/c1-20(30)7-3-4-15(20)28-17-12(10-14(16(21)22)18(28)29)11-24-19(26-17)25-13-5-8-27(9-6-13)33(31,32)23-2/h10-11,13,15-16,23,30H,3-9H2,1-2H3,(H,24,25,26)/t15-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370227 (US10233188, Example 114) Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370124 (US10233188, Example 13) Show SMILES NS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C17H24N6O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H2,18,25,26)(H,19,20,21)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50425006 (CHEMBL2312187) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1C#N Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-3-5-12(6-4-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370113 (8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370187 (US10233188, Example 74) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CC3)ncc2ccc1=O Show InChI InChI=1S/C21H29N5O4S/c1-21(28)10-2-3-17(21)26-18(27)7-4-14-13-22-20(24-19(14)26)23-15-8-11-25(12-9-15)31(29,30)16-5-6-16/h4,7,13,15-17,28H,2-3,5-6,8-12H2,1H3,(H,22,23,24)/t17-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370239 (US10233188, Example 126) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C19H27ClN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370189 (US10233188, Example 76) Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C20H29N5O4S/c1-3-30(28,29)24-11-8-15(9-12-24)22-19-21-13-14-6-7-17(26)25(18(14)23-19)16-5-4-10-20(16,2)27/h6-7,13,15-16,27H,3-5,8-12H2,1-2H3,(H,21,22,23)/t16-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370179 (US10233188, Example 66) Show SMILES CC(F)(F)CNS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C21H30F2N6O4S/c1-20(31)9-3-4-16(20)29-17(30)6-5-14-12-24-19(27-18(14)29)26-15-7-10-28(11-8-15)34(32,33)25-13-21(2,22)23/h5-6,12,15-16,25,31H,3-4,7-11,13H2,1-2H3,(H,24,26,27)/t16-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370136 (US10233188, Example 25) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(N)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C18H26N6O3S/c1-12-10-13-11-20-18(21-14-6-8-23(9-7-14)28(19,26)27)22-16(13)24(17(12)25)15-4-2-3-5-15/h10-11,14-15H,2-9H2,1H3,(H2,19,26,27)(H,20,21,22)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370215 (US10233188, Example 102) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NC[C@H]3CCCO3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C24H36N6O5S/c1-16-13-17-14-25-23(28-21(17)30(22(16)31)20-6-3-9-24(20,2)32)27-18-7-10-29(11-8-18)36(33,34)26-15-19-5-4-12-35-19/h13-14,18-20,26,32H,3-12,15H2,1-2H3,(H,25,27,28)/t19-,20-,24-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370209 (US10233188, Example 96) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NC3CCOCC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C24H36N6O5S/c1-16-14-17-15-25-23(27-21(17)30(22(16)31)20-4-3-9-24(20,2)32)26-18-5-10-29(11-6-18)36(33,34)28-19-7-12-35-13-8-19/h14-15,18-20,28,32H,3-13H2,1-2H3,(H,25,26,27)/t20-,24-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370191 (US10233188, Example 78) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)c3nccs3)ncc2ccc1=O Show InChI InChI=1S/C21H26N6O4S2/c1-21(29)8-2-3-16(21)27-17(28)5-4-14-13-23-19(25-18(14)27)24-15-6-10-26(11-7-15)33(30,31)20-22-9-12-32-20/h4-5,9,12-13,15-16,29H,2-3,6-8,10-11H2,1H3,(H,23,24,25)/t16-,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370193 (US10233188, Example 80) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)c3nncs3)ncc2ccc1=O Show InChI InChI=1S/C20H25N7O4S2/c1-20(29)8-2-3-15(20)27-16(28)5-4-13-11-21-18(24-17(13)27)23-14-6-9-26(10-7-14)33(30,31)19-25-22-12-32-19/h4-5,11-12,14-15,29H,2-3,6-10H2,1H3,(H,21,23,24)/t15-,20-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370183 (US10233188, Example 70 | US10233188, Example 71) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)ncc2ccc1=O Show InChI InChI=1S/C22H31N5O6S2/c1-22(29)9-2-3-18(22)27-19(28)5-4-15-13-23-21(25-20(15)27)24-16-6-10-26(11-7-16)35(32,33)17-8-12-34(30,31)14-17/h4-5,13,16-18,29H,2-3,6-12,14H2,1H3,(H,23,24,25)/t17?,18-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370203 (US10233188, Example 90) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)CC3CC3)ncc2ccc1=O Show InChI InChI=1S/C22H31N5O4S/c1-22(29)10-2-3-18(22)27-19(28)7-6-16-13-23-21(25-20(16)27)24-17-8-11-26(12-9-17)32(30,31)14-15-4-5-15/h6-7,13,15,17-18,29H,2-5,8-12,14H2,1H3,(H,23,24,25)/t18-,22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370114 (8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...) Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370213 (US10233188, Example 100) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NC[C@@H]3CCCO3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O Show InChI InChI=1S/C24H36N6O5S/c1-16-13-17-14-25-23(28-21(17)30(22(16)31)20-6-3-9-24(20,2)32)27-18-7-10-29(11-8-18)36(33,34)26-15-19-5-4-12-35-19/h13-14,18-20,26,32H,3-12,15H2,1-2H3,(H,25,27,28)/t19-,20+,24+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370150 (US10233188, Example 38) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O Show InChI InChI=1S/C19H26ClN5O3S/c1-12-4-3-5-16(12)25-17-13(10-15(20)18(25)26)11-21-19(23-17)22-14-6-8-24(9-7-14)29(2,27)28/h10-12,14,16H,3-9H2,1-2H3,(H,21,22,23)/t12-,16+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370162 (US10233188, Example 50) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O Show InChI InChI=1S/C20H29N5O4S/c1-13-4-3-5-17(13)25-18-14(10-15(12-26)19(25)27)11-21-20(23-18)22-16-6-8-24(9-7-16)30(2,28)29/h10-11,13,16-17,26H,3-9,12H2,1-2H3,(H,21,22,23)/t13-,17+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370159 (US10233188, Example 47) Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(N)=O)c1=O Show InChI InChI=1S/C21H30N6O4S/c1-13-4-3-5-17(13)27-19-15(10-14(20(27)29)11-18(22)28)12-23-21(25-19)24-16-6-8-26(9-7-16)32(2,30)31/h10,12-13,16-17H,3-9,11H2,1-2H3,(H2,22,28)(H,23,24,25)/t13-,17+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370170 (US10233188, Example 58) Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)CF)ncc2ccc1=O Show InChI InChI=1S/C19H26FN5O4S/c1-19(27)8-2-3-15(19)25-16(26)5-4-13-11-21-18(23-17(13)25)22-14-6-9-24(10-7-14)30(28,29)12-20/h4-5,11,14-15,27H,2-3,6-10,12H2,1H3,(H,21,22,23)/t15-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM370168 (US10233188, Example 56) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 Show InChI InChI=1S/C19H28N6O4S/c1-19(27)9-3-4-15(19)25-16(26)6-5-13-12-21-18(23-17(13)25)22-14-7-10-24(11-8-14)30(28,29)20-2/h5-6,12,14-15,20,27H,3-4,7-11H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10233188 (2019) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair

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