Compile Data Set for Download or QSAR

Found 1660 hits for UniProtKB: P49674   

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
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274527 (N-(6-(4-(4-fluorophenyl)-1- (1-(2-hydroxyethyl)pip...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CCO)CC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C32H30FN9O2S/c1-20-30(45-32(36-20)22-3-2-12-34-17-22)31(44)38-26-18-42-27(37-26)9-8-25(39-42)29-28(21-4-6-23(33)7-5-21)35-19-41(29)24-10-13-40(14-11-24)15-16-43/h2-9,12,17-19,24,43H,10-11,13-16H2,1H3,(H,38,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0950	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274535 (N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CCO)CC1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C32H30FN9O2S/c1-20-30(45-32(36-20)22-8-12-34-13-9-22)31(44)38-26-18-42-27(37-26)7-6-25(39-42)29-28(21-2-4-23(33)5-3-21)35-19-41(29)24-10-14-40(15-11-24)16-17-43/h2-9,12-13,18-19,24,43H,10-11,14-17H2,1H3,(H,38,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0960	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274530 (N-(6-(1-(1-(2-amino-2- oxoethyl)piperidin-4-yl)-4-...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CC(N)=O)CC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C32H29FN10O2S/c1-19-30(46-32(37-19)21-3-2-12-35-15-21)31(45)39-26-17-43-27(38-26)9-8-24(40-43)29-28(20-4-6-22(33)7-5-20)36-18-42(29)23-10-13-41(14-11-23)16-25(34)44/h2-9,12,15,17-18,23H,10-11,13-14,16H2,1H3,(H2,34,44)(H,39,45)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.128	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274525 (N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C30H26FN9OS/c1-18-28(42-30(35-18)20-3-2-12-33-15-20)29(41)37-24-16-40-25(36-24)9-8-23(38-40)27-26(19-4-6-21(31)7-5-19)34-17-39(27)22-10-13-32-14-11-22/h2-9,12,15-17,22,32H,10-11,13-14H2,1H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274547 ((S)—N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trif...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H24F4N8O2S/c28-17-3-1-16(2-4-17)24-25(38(14-33-24)18-7-9-37(10-8-18)12-21(40)27(29,30)31)19-5-6-23-34-22(13-39(23)36-19)35-26(41)20-11-32-15-42-20/h1-6,11,13-15,18,21,40H,7-10,12H2,(H,35,41)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.182	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274455 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- ((5-methyl...) Show SMILES Cc1cc(CN2CCC(CC2)n2cnc(c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)-c2ccc(F)cc2)no1 Show InChI InChI=1S/C31H27F2N9O2/c1-19-14-23(39-44-19)16-40-12-9-24(10-13-40)41-18-35-29(20-2-4-22(32)5-3-20)30(41)25-6-7-28-36-27(17-42(28)38-25)37-31(43)21-8-11-34-26(33)15-21/h2-8,11,14-15,17-18,24H,9-10,12-13,16H2,1H3,(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.183	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255164 (US9475817, 123) Show SMILES Cn1nc(c(c1N1CCN(CC1)C(=O)CN)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H26F2N10O2/c1-37-28(39-12-10-38(11-13-39)24(41)15-31)25(26(36-37)17-2-4-19(29)5-3-17)20-6-7-23-33-22(16-40(23)35-20)34-27(42)18-8-9-32-21(30)14-18/h2-9,14,16H,10-13,15,31H2,1H3,(H,34,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274713 (2-Fluoro-N-(6-(1-(2-fluoroethyl)-4-(4-fluorophenyl...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(F)cc1 Show InChI InChI=1S/C24H18F3N7O/c1-14-29-22(15-2-4-17(26)5-3-15)23(33(14)11-9-25)18-6-7-21-30-20(13-34(21)32-18)31-24(35)16-8-10-28-19(27)12-16/h2-8,10,12-13H,9,11H2,1H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.222	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274439 ((S)-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3- trifluor...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H26F4N8O2/c30-20-3-1-18(2-4-20)26-27(40(17-35-26)21-9-13-39(14-10-21)15-23(42)29(31,32)33)22-5-6-25-36-24(16-41(25)38-22)37-28(43)19-7-11-34-12-8-19/h1-8,11-12,16-17,21,23,42H,9-10,13-15H2,(H,37,43)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.225	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274498 (N-(6-(1-(1-(3,3- difluorocyclobutanecarbonyl)piper...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CC(F)(F)C2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C31H26F4N8O2/c32-21-3-1-18(2-4-21)27-28(42(17-37-27)22-8-11-41(12-9-22)30(45)20-14-31(34,35)15-20)23-5-6-26-38-25(16-43(26)40-23)39-29(44)19-7-10-36-24(33)13-19/h1-7,10,13,16-17,20,22H,8-9,11-12,14-15H2,(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.233	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274493 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (5-methyli...) Show SMILES Cc1oncc1C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H25F2N9O3/c1-18-23(15-36-45-18)31(44)40-12-9-22(10-13-40)41-17-35-28(19-2-4-21(32)5-3-19)29(41)24-6-7-27-37-26(16-42(27)39-24)38-30(43)20-8-11-34-25(33)14-20/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.256	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274443 (N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol- 3-ylmethy...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H25F2N9O2/c31-21-3-1-19(2-4-21)28-29(40(18-34-28)23-8-12-39(13-9-23)16-22-10-14-43-38-22)24-5-6-27-35-26(17-41(27)37-24)36-30(42)20-7-11-33-25(32)15-20/h1-7,10-11,14-15,17-18,23H,8-9,12-13,16H2,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.283	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274487 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1 isonicotino...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccncc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C32H25F2N9O2/c33-23-3-1-20(2-4-23)29-30(42(19-37-29)24-10-15-41(16-11-24)32(45)21-7-12-35-13-8-21)25-5-6-28-38-27(18-43(28)40-25)39-31(44)22-9-14-36-26(34)17-22/h1-9,12-14,17-19,24H,10-11,15-16H2,(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.297	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274434 (N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazol-3- ylmethy...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccon3)CC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1 Show InChI InChI=1S/C30H26FN9O2/c31-22-3-1-20(2-4-22)28-29(39(19-33-28)24-9-14-38(15-10-24)17-23-11-16-42-37-23)25-5-6-27-34-26(18-40(27)36-25)35-30(41)21-7-12-32-13-8-21/h1-8,11-13,16,18-19,24H,9-10,14-15,17H2,(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.298	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255199 (US9475817, 158) Show SMILES Cn1nc(c(c1C1CCN(C[C@@H](O)C(F)(F)F)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H27F5N8O2/c1-41-28(18-9-12-42(13-10-18)15-22(44)30(33,34)35)26(27(40-41)17-2-4-20(31)5-3-17)21-6-7-25-37-24(16-43(25)39-21)38-29(45)19-8-11-36-23(32)14-19/h2-8,11,14,16,18,22,44H,9-10,12-13,15H2,1H3,(H,38,45)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255195 (US9475817, 154) Show SMILES Cn1nc(c(c1C1CCN(CC1)C(=O)c1cncs1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H25F2N9O2S/c1-40-29(19-9-12-41(13-10-19)31(44)23-15-34-17-45-23)27(28(39-40)18-2-4-21(32)5-3-18)22-6-7-26-36-25(16-42(26)38-22)37-30(43)20-8-11-35-24(33)14-20/h2-8,11,14-17,19H,9-10,12-13H2,1H3,(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274469 ((S)-2-fluoro-N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H25F5N8O2/c30-19-3-1-17(2-4-19)26-27(41(16-36-26)20-8-11-40(12-9-20)14-22(43)29(32,33)34)21-5-6-25-37-24(15-42(25)39-21)38-28(44)18-7-10-35-23(31)13-18/h1-7,10,13,15-16,20,22,43H,8-9,11-12,14H2,(H,38,44)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.305	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274525 (N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C30H26FN9OS/c1-18-28(42-30(35-18)20-3-2-12-33-15-20)29(41)37-24-16-40-25(36-24)9-8-23(38-40)27-26(19-4-6-21(31)7-5-19)34-17-39(27)22-10-13-32-14-11-22/h2-9,12,15-17,22,32H,10-11,13-14H2,1H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.356	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274545 (N-(6-(4-(4-fluorophenyl)-1-(1-(isoxazole-3-carbony...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccon2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1 Show InChI InChI=1S/C28H22FN9O3S/c29-18-3-1-17(2-4-18)25-26(37(15-31-25)19-7-10-36(11-8-19)28(40)21-9-12-41-35-21)20-5-6-24-32-23(14-38(24)34-20)33-27(39)22-13-30-16-42-22/h1-6,9,12-16,19H,7-8,10-11H2,(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.372	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274494 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (3-methyli...) Show SMILES Cc1nocc1C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H25F2N9O3/c1-18-23(16-45-39-18)31(44)40-12-9-22(10-13-40)41-17-35-28(19-2-4-21(32)5-3-19)29(41)24-6-7-27-36-26(15-42(27)38-24)37-30(43)20-8-11-34-25(33)14-20/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.391	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255217 (US9475817, 176) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(nn(C)c1C1CCN(Cc2ccon2)CC1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C35H31FN10O2S/c1-21-33(49-35(38-21)24-4-3-14-37-18-24)34(47)40-28-20-46-29(39-28)10-9-27(41-46)30-31(22-5-7-25(36)8-6-22)42-44(2)32(30)23-11-15-45(16-12-23)19-26-13-17-48-43-26/h3-10,13-14,17-18,20,23H,11-12,15-16,19H2,1-2H3,(H,40,47)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274663 (2-fluoro-N-(6-(1-(2-fluoroethyl)-4- (4-fluoropheny...) Show SMILES FCCn1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H16F3N7O/c24-8-10-32-13-28-21(14-1-3-16(25)4-2-14)22(32)17-5-6-20-29-19(12-33(20)31-17)30-23(34)15-7-9-27-18(26)11-15/h1-7,9,11-13H,8,10H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.412	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274546 (N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3-trifluoropro...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CC(F)(F)F)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1 Show InChI InChI=1S/C27H22F4N8O2S/c28-17-3-1-16(2-4-17)24-25(38(14-33-24)18-7-9-37(10-8-18)23(40)11-27(29,30)31)19-5-6-22-34-21(13-39(22)36-19)35-26(41)20-12-32-15-42-20/h1-6,12-15,18H,7-11H2,(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.424	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274489 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-(methyl...) Show SMILES CS(=O)(=O)CC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H26F2N8O4S/c1-44(42,43)16-26(40)37-12-9-21(10-13-37)38-17-33-27(18-2-4-20(30)5-3-18)28(38)22-6-7-25-34-24(15-39(25)36-22)35-29(41)19-8-11-32-23(31)14-19/h2-8,11,14-15,17,21H,9-10,12-13,16H2,1H3,(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.457	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274513 (3,3,3-trifluoropropyl 4-(5-(2-(2- fluoroisonicotin...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)OCCC(F)(F)F)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H25F5N8O3/c31-20-3-1-18(2-4-20)26-27(42(17-37-26)21-8-12-41(13-9-21)29(45)46-14-10-30(33,34)35)22-5-6-25-38-24(16-43(25)40-22)39-28(44)19-7-11-36-23(32)15-19/h1-7,11,15-17,21H,8-10,12-14H2,(H,39,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.461	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274532 (N-(6-(4-(4-fluorophenyl)-1- (1-(3,3,3-trifluoropro...) Show SMILES Cc1nc(sc1C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1C1CCN(CC1)C(=O)CC(F)(F)F)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C33H27F4N9O2S/c1-19-30(49-32(40-19)21-3-2-12-38-16-21)31(48)42-25-17-46-26(41-25)9-8-24(43-46)29-28(20-4-6-22(34)7-5-20)39-18-45(29)23-10-13-44(14-11-23)27(47)15-33(35,36)37/h2-9,12,16-18,23H,10-11,13-15H2,1H3,(H,42,48)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.484	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274500 (N-(6-(1-(1-(3- chloropropanoyl)piperidin-4-yl)-4-(...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CCCl)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C29H25ClF2N8O2/c30-11-7-26(41)38-13-9-21(10-14-38)39-17-34-27(18-1-3-20(31)4-2-18)28(39)22-5-6-25-35-24(16-40(25)37-22)36-29(42)19-8-12-33-23(32)15-19/h1-6,8,12,15-17,21H,7,9-11,13-14H2,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.493	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274491 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (1-methyl-...) Show SMILES Cn1ccc(n1)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H26F2N10O2/c1-40-13-11-24(38-40)31(45)41-14-9-22(10-15-41)42-18-35-28(19-2-4-21(32)5-3-19)29(42)23-6-7-27-36-26(17-43(27)39-23)37-30(44)20-8-12-34-25(33)16-20/h2-8,11-13,16-18,22H,9-10,14-15H2,1H3,(H,37,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.545	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274502 (N-(6-(1-(1-(1H-imidazole-4- carbonyl)piperidin-4-y...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2c[nH]cn2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H24F2N10O2/c31-20-3-1-18(2-4-20)27-28(41(17-36-27)21-8-11-40(12-9-21)30(44)23-14-33-16-35-23)22-5-6-26-37-25(15-42(26)39-22)38-29(43)19-7-10-34-24(32)13-19/h1-7,10,13-17,21H,8-9,11-12H2,(H,33,35)(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.559	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274541 (N-(6-(4-(4-fluorophenyl)- 1-(1-(2-hydroxyethyl) pi...) Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H29FN8O2/c33-22-7-5-21(6-8-22)30-31(40(20-35-30)23-12-15-39(16-13-23)17-18-42)27-9-10-29-36-28(19-41(29)38-27)37-32(43)25-11-14-34-26-4-2-1-3-24(25)26/h1-11,14,19-20,23,42H,12-13,15-18H2,(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.564	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274449 (N-(6-(1-(1-((1H-imidazol-2- yl)methyl)piperidin-4-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncc[nH]3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H26F2N10O/c31-21-3-1-19(2-4-21)28-29(41(18-36-28)22-8-13-40(14-9-22)16-25-34-11-12-35-25)23-5-6-27-37-26(17-42(27)39-23)38-30(43)20-7-10-33-24(32)15-20/h1-7,10-12,15,17-18,22H,8-9,13-14,16H2,(H,34,35)(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.599	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255204 (US9475817, 163) Show SMILES Cn1nc(c(c1C1CCN(CC(N)=O)CC1)-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H35FN10O3/c1-41-32(22-9-12-42(13-10-22)19-26(35)45)30(31(40-41)21-2-4-24(34)5-3-21)25-6-7-28-37-27(20-44(28)39-25)38-33(46)23-8-11-36-29(18-23)43-14-16-47-17-15-43/h2-8,11,18,20,22H,9-10,12-17,19H2,1H3,(H2,35,45)(H,38,46)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274503 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (isothiazo...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)c2ccns2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H23F2N9O2S/c31-20-3-1-18(2-4-20)27-28(40(17-34-27)21-9-13-39(14-10-21)30(43)23-8-12-35-44-23)22-5-6-26-36-25(16-41(26)38-22)37-29(42)19-7-11-33-24(32)15-19/h1-8,11-12,15-17,21H,9-10,13-14H2,(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.608	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274444 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...) Show SMILES OCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H26F2N8O2/c29-20-3-1-18(2-4-20)26-27(37(17-32-26)21-8-11-36(12-9-21)13-14-39)22-5-6-25-33-24(16-38(25)35-22)34-28(40)19-7-10-31-23(30)15-19/h1-7,10,15-17,21,39H,8-9,11-14H2,(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274442 (N-(6-(4-(4-fluorophenyl)-1-(1- methylpiperidin-4-y...) Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H24F2N8O/c1-35-12-9-20(10-13-35)36-16-31-25(17-2-4-19(28)5-3-17)26(36)21-6-7-24-32-23(15-37(24)34-21)33-27(38)18-8-11-30-22(29)14-18/h2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.654	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274571 ((S)-2-fluoro-N-(6-(4-(4- fluorophenyl)-2-methyl-1-...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C1CCN(C[C@H](O)C(F)(F)F)CC1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H27F5N8O2/c1-17-37-27(18-2-4-20(31)5-3-18)28(43(17)21-9-12-41(13-10-21)15-23(44)30(33,34)35)22-6-7-26-38-25(16-42(26)40-22)39-29(45)19-8-11-36-24(32)14-19/h2-8,11,14,16,21,23,44H,9-10,12-13,15H2,1H3,(H,39,45)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.656	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274454 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C32H33F2N9O2/c33-24-3-1-22(2-4-24)30-31(42(21-36-30)25-8-11-40(12-9-25)13-14-41-15-17-45-18-16-41)26-5-6-29-37-28(20-43(29)39-26)38-32(44)23-7-10-35-27(34)19-23/h1-7,10,19-21,25H,8-9,11-18H2,(H,38,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.675	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274460 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (oxazol-2-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ncco3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H25F2N9O2/c31-21-3-1-19(2-4-21)28-29(40(18-35-28)22-8-12-39(13-9-22)17-27-34-11-14-43-27)23-5-6-26-36-25(16-41(26)38-23)37-30(42)20-7-10-33-24(32)15-20/h1-7,10-11,14-16,18,22H,8-9,12-13,17H2,(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.676	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274501 (N-(6-(1-(1-(1- cyanocyclopropanecarbonyl)piperidin...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2(CC2)C#N)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C31H25F2N9O2/c32-21-3-1-19(2-4-21)27-28(41(18-36-27)22-8-13-40(14-9-22)30(44)31(17-34)10-11-31)23-5-6-26-37-25(16-42(26)39-23)38-29(43)20-7-12-35-24(33)15-20/h1-7,12,15-16,18,22H,8-11,13-14H2,(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.676	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274440 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-y...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C26H22F2N8O/c27-18-3-1-16(2-4-18)24-25(35(15-31-24)19-8-10-29-11-9-19)20-5-6-23-32-22(14-36(23)34-20)33-26(37)17-7-12-30-21(28)13-17/h1-7,12-15,19,29H,8-11H2,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.681	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274594 (N-(6-(4-(4-fluorophenyl)-1- (2-morpholinoethyl)-1H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3cccc(c3)-c3cccnc3)cn2n1 Show InChI InChI=1S/C38H38FN9O2/c39-31-8-6-27(7-9-31)36-37(47(26-41-36)32-12-15-45(16-13-32)17-18-46-19-21-50-22-20-46)33-10-11-35-42-34(25-48(35)44-33)43-38(49)29-4-1-3-28(23-29)30-5-2-14-40-24-30/h1-11,14,23-26,32H,12-13,15-22H2,(H,43,49)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.687	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274690 (2-fluoro-N-(6-(4-(4-fluorophenyl)- 1-(2-(1H-pyrazo...) Show SMILES Fc1ccc(cc1)-c1ncn(CCc2cn[nH]c2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C26H19F2N9O/c27-19-3-1-17(2-4-19)24-25(36(15-30-24)10-8-16-12-31-32-13-16)20-5-6-23-33-22(14-37(23)35-20)34-26(38)18-7-9-29-21(28)11-18/h1-7,9,11-15H,8,10H2,(H,31,32)(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.719	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274477 (N-(6-(1-(1-(2-cyanoacetyl)piperidin-4- yl)-4-(4-fl...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C[N+]#[C-])c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C29H23F2N9O2/c1-32-15-26(41)38-12-9-21(10-13-38)39-17-34-27(18-2-4-20(30)5-3-18)28(39)22-6-7-25-35-24(16-40(25)37-22)36-29(42)19-8-11-33-23(31)14-19/h2-8,11,14,16-17,21H,9-10,12-13,15H2,(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.743	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274724 (2-fluoro-N-(6-(4-(4-fluoro-3- methylphenyl)-1-(2-f...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C25H20F3N7O/c1-14-11-16(3-4-18(14)27)23-24(34(10-8-26)15(2)30-23)19-5-6-22-31-21(13-35(22)33-19)32-25(36)17-7-9-29-20(28)12-17/h3-7,9,11-13H,8,10H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274762 (N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...) Show SMILES Cc1c[nH]c(c1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc(C)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20FN7O/c1-13-10-18(25-11-13)23(32)28-19-12-31-20(27-19)9-8-17(29-31)22-21(26-14(2)30(22)3)15-4-6-16(24)7-5-15/h4-12,25H,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.768	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274521 ((S)-2,6-difluoro-N-(6-(4-(4- fluorophenyl)-1-(1-(3...) Show SMILES O[C@@H](CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1)-c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H24F6N8O2/c30-18-3-1-16(2-4-18)26-27(42(15-36-26)19-7-9-41(10-8-19)13-21(44)29(33,34)35)20-5-6-25-38-24(14-43(25)40-20)39-28(45)17-11-22(31)37-23(32)12-17/h1-6,11-12,14-15,19,21,44H,7-10,13H2,(H,39,45)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.796	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274495 (2-fluoro-N-(6-(1-(1-(2-fluoro-2- methylpropanoyl)p...) Show SMILES CC(C)(F)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H27F3N8O2/c1-30(2,33)29(43)39-13-10-21(11-14-39)40-17-35-26(18-3-5-20(31)6-4-18)27(40)22-7-8-25-36-24(16-41(25)38-22)37-28(42)19-9-12-34-23(32)15-19/h3-9,12,15-17,21H,10-11,13-14H2,1-2H3,(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.798	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274854 (2-Fluoro-N-(6-(4-(4-fluorophenyl)-1-(tetrahydro-2H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C26H21F2N7O2/c27-18-3-1-16(2-4-18)24-25(34(15-30-24)19-8-11-37-12-9-19)20-5-6-23-31-22(14-35(23)33-20)32-26(36)17-7-10-29-21(28)13-17/h1-7,10,13-15,19H,8-9,11-12H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM255210 (US9475817, 169) Show SMILES Cn1nc(c(c1C1CCN(Cc2ccon2)CC1)-c1ccc2nc(NC(=O)c3ccncc3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H28FN9O2/c1-39-30(21-10-15-40(16-11-21)18-24-12-17-43-38-24)28(29(37-39)20-2-4-23(32)5-3-20)25-6-7-27-34-26(19-41(27)36-25)35-31(42)22-8-13-33-14-9-22/h2-9,12-14,17,19,21H,10-11,15-16,18H2,1H3,(H,35,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (flu...				US Patent US9475817 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZXH
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM274510 (US9556179, Compound 80 | oxetan-3-yl 4-(5-(2-(2- f...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)OC2COC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C30H26F2N8O4/c31-20-3-1-18(2-4-20)27-28(39(17-34-27)21-8-11-38(12-9-21)30(42)44-22-15-43-16-22)23-5-6-26-35-25(14-40(26)37-23)36-29(41)19-7-10-33-24(32)13-19/h1-7,10,13-14,17,21-22H,8-9,11-12,15-16H2,(H,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.809	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme, subst...				US Patent US9556179 (2017) BindingDB Entry DOI: 10.7270/Q2G73GR5
					More data for this Ligand-Target Pair

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