Compile Data Set for Download or QSAR

Found 10082 hits Enz. Inhib. hit(s) with Target = 'Casein Kinase I'   

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 II subunit alpha' (Homo sapiens (Human))	BDBM142829 (US8940736, 391) Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274578 (2-fluoro-N-(6-(4-(4- fluorophenyl)-1-(1- (2-hydrox...) Show SMILES OCCN1CC(C1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H22F2N8O2/c27-18-3-1-16(2-4-18)24-25(35(15-30-24)19-12-34(13-19)9-10-37)20-5-6-23-31-22(14-36(23)33-20)32-26(38)17-7-8-29-21(28)11-17/h1-8,11,14-15,19,37H,9-10,12-13H2,(H,32,38)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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 delta (Homo sapiens (Human))	BDBM274432 (N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imi...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccc2nc(NC(=O)c3ccncc3)cn2n1 Show InChI InChI=1S/C26H23FN8O/c27-19-3-1-17(2-4-19)24-25(34(16-30-24)20-9-13-29-14-10-20)21-5-6-23-31-22(15-35(23)33-21)32-26(36)18-7-11-28-12-8-18/h1-8,11-12,15-16,20,29H,9-10,13-14H2,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	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 II subunit alpha' (Homo sapiens (Human))	BDBM142775 (US8940736, 7) Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274471 (N-(6-(1-(1-(2-aminoacetyl)piperidin-4- yl)-4-(4-fl...) Show SMILES NCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25F2N9O2/c29-19-3-1-17(2-4-19)26-27(38(16-33-26)20-8-11-37(12-9-20)25(40)14-31)21-5-6-24-34-23(15-39(24)36-21)35-28(41)18-7-10-32-22(30)13-18/h1-7,10,13,15-16,20H,8-9,11-12,14,31H2,(H,35,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0850	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 II subunit alpha' (Homo sapiens (Human))	BDBM142774 (US8940736, 6) Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12 Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142816 (US8940736, 281) Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0910	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))	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 delta (Homo sapiens (Human))	BDBM274618 (N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-y...) Show SMILES CC(C)(C)C(=O)Nc1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc2ccccn12)-c1ccc(F)cc1 Show InChI InChI=1S/C30H25FN8O2/c1-30(2,3)29(41)35-22-16-19(13-14-32-22)28(40)34-23-17-39-25(33-23)12-11-21(37-39)27-26(18-7-9-20(31)10-8-18)36-24-6-4-5-15-38(24)27/h4-17H,1-3H3,(H,34,40)(H,32,35,41)	PDB UniProtKB/SwissProt B.MOAD 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 delta (Homo sapiens (Human))	BDBM274886 (2-Fluoro-N-(6-(2-(4-fluorophenyl)-7-pivaloyl- 5,6,...) Show SMILES CC(C)(C)C(=O)N1CCn2c(C1)nc(c2-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H26F2N8O2/c1-29(2,3)28(41)37-12-13-38-24(16-37)35-25(17-4-6-19(30)7-5-17)26(38)20-8-9-23-33-22(15-39(23)36-20)34-27(40)18-10-11-32-21(31)14-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,34,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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 delta (Homo sapiens (Human))	BDBM255158 (US9475817, 117) Show SMILES Cn1nc(c(c1N1CCN(CCO)CC1)-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H27F2N9O2/c1-36-28(38-12-10-37(11-13-38)14-15-40)25(26(35-36)18-2-4-20(29)5-3-18)21-6-7-24-32-23(17-39(24)34-21)33-27(41)19-8-9-31-22(30)16-19/h2-9,16-17,40H,10-15H2,1H3,(H,33,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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 II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM218843 (US9303033, A1, Example 5) Show SMILES Nc1cc(Nc2cccc(Cl)c2)nc2c(\C=C3/NC(=O)NC3=O)cnn12 Show InChI InChI=1S/C16H12ClN7O2/c17-9-2-1-3-10(5-9)20-13-6-12(18)24-14(22-13)8(7-19-24)4-11-15(25)23-16(26)21-11/h1-7H,18H2,(H,20,22)(H2,21,23,25,26)/b11-4-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description In a final reaction volume of 50 μl, CK2 ααββ (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in ...				US Patent US9303033 (2016) BindingDB Entry DOI: 10.7270/Q2CN72RX
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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 delta (Homo sapiens (Human))	BDBM274453 (N-(6-(1-(1-((1,3-dimethyl-1H-pyrazol-4- yl)methyl)...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3c[nH]cn3)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)23-8-11-40(12-9-23)15-22-14-33-17-35-22)24-5-6-27-37-26(16-42(27)39-24)38-30(43)20-7-10-34-25(32)13-20/h1-7,10,13-14,16-18,23H,8-9,11-12,15H2,(H,33,35)(H,38,43)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.101	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.104	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 delta (Homo sapiens (Human))	BDBM274718 (N-(6-(4-(4-chlorophenyl)-1-(2- fluoroethyl)-2-meth...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CCF)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClF2N7O/c1-14-29-22(15-2-4-17(25)5-3-15)23(33(14)11-9-26)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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.109	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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 II subunit alpha' (Homo sapiens (Human))	BDBM142777 (US8940736, 49) Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274595 (N-(6-(4-(4-fluorophenyl)-1- (2-morpholinoethyl)-1H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc(c3)N3CCOCC3)cn2n1 Show InChI InChI=1S/C36H41FN10O3/c37-28-3-1-26(2-4-28)34-35(46(25-39-34)29-8-11-43(12-9-29)13-14-44-15-19-49-20-16-44)30-5-6-32-40-31(24-47(32)42-30)41-36(48)27-7-10-38-33(23-27)45-17-21-50-22-18-45/h1-7,10,23-25,29H,8-9,11-22H2,(H,41,48)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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 II subunit alpha' (Homo sapiens (Human))	BDBM142792 (US8940736, 160) Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142835 (US8940736, 402) Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274619 (2-(dimethylamino)-N-(6-(2-(4- fluorophenyl)imidazo...) Show SMILES CN(C)c1cc(ccn1)C(=O)Nc1cn2nc(ccc2n1)-c1c(nc2ccccn12)-c1ccc(F)cc1 Show InChI InChI=1S/C27H21FN8O/c1-34(2)24-15-18(12-13-29-24)27(37)31-21-16-36-23(30-21)11-10-20(33-36)26-25(17-6-8-19(28)9-7-17)32-22-5-3-4-14-35(22)26/h3-16H,1-2H3,(H,31,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.111	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.112	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.116	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 delta (Homo sapiens (Human))	BDBM274720 (N-(6-(4-(4-chlorophenyl)-2-methyl- 1-(2,2,2-triflu...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1CC(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H16ClF4N7O/c1-13-31-21(14-2-4-16(25)5-3-14)22(35(13)12-24(27,28)29)17-6-7-20-32-19(11-36(20)34-17)33-23(37)15-8-9-30-18(26)10-15/h2-11H,12H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.126	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 delta (Homo sapiens (Human))	BDBM274472 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...) Show SMILES OCC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H24F2N8O3/c29-19-3-1-17(2-4-19)26-27(37(16-32-26)20-8-11-36(12-9-20)25(40)15-39)21-5-6-24-33-23(14-38(24)35-21)34-28(41)18-7-10-31-22(30)13-18/h1-7,10,13-14,16,20,39H,8-9,11-12,15H2,(H,34,41)	PDB UniProtKB/SwissProt B.MOAD 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))	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	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 II subunit alpha' (Homo sapiens (Human))	BDBM142822 (US8940736, 328) Show SMILES CCNc1nc(Nc2cc(cc(N3CC[C@H](NC(=O)OC)[C@@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r| Show InChI InChI=1S/C22H23ClN10O3/c1-4-26-19-20-27-10-17(25-2)33(20)31-21(30-19)28-14-7-12(9-24)8-15(18(14)23)32-6-5-13(16(34)11-32)29-22(35)36-3/h7-8,10,13,16,34H,4-6,11H2,1,3H3,(H,29,35)(H2,26,28,30,31)/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142829 (US8940736, 391) Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274465 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-methoxy...) Show SMILES COCCN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28F2N8O2/c1-41-15-14-37-12-9-22(10-13-37)38-18-33-27(19-2-4-21(30)5-3-19)28(38)23-6-7-26-34-25(17-39(26)36-23)35-29(40)20-8-11-32-24(31)16-20/h2-8,11,16-18,22H,9-10,12-15H2,1H3,(H,35,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.136	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 II subunit alpha (Homo sapiens (Human))	BDBM142817 (US8940736, 285) Show SMILES COC(=O)N[C@@H]1CCN(C[C@@H]1F)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C23H22ClFN10O2/c1-37-23(36)31-16-4-5-34(11-15(16)25)18-7-12(8-26)6-17(19(18)24)30-22-32-20(29-13-2-3-13)21-28-10-14(9-27)35(21)33-22/h6-7,10,13,15-16H,2-5,11H2,1H3,(H,31,36)(H2,29,30,32,33)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.142	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.143	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 II subunit alpha [2-329] (Homo sapiens (Human))	BDBM644447 (5-((2-(4-((3-cyano-4- cyclobutoxybenzyl) amino)but...) Show SMILES OC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc1ccc(OC3CCC3)c(c1)C#N)c1ccncc21 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.145	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274519 (N-(6-(1-(1-(2-amino-2- oxoethyl)piperidin-4-yl)-4-...) Show SMILES NC(=O)CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3cc(F)nc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H24F3N9O2/c29-18-3-1-16(2-4-18)26-27(39(15-33-26)19-7-9-38(10-8-19)13-23(32)41)20-5-6-25-35-24(14-40(25)37-20)36-28(42)17-11-21(30)34-22(31)12-17/h1-6,11-12,14-15,19H,7-10,13H2,(H2,32,41)(H,36,42)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.146	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.147	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 II subunit alpha' (Homo sapiens (Human))	BDBM142784 (US8940736, 117) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N Show InChI InChI=1S/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142774 (US8940736, 6) Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12 Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274745 (6-fluoro-N-(6-(4-(4-fluoro- phenyl)-1,2-dimethyl-1...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc(F)nc4)cn3n2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C23H17F2N7O/c1-13-27-21(14-3-6-16(24)7-4-14)22(31(13)2)17-8-10-20-28-19(12-32(20)30-17)29-23(33)15-5-9-18(25)26-11-15/h3-12H,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.152	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 delta (Homo sapiens (Human))	BDBM274544 (N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoroprop...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCC(F)(F)F)CC2)c1-c1ccc2nc(NC(=O)c3cncs3)cn2n1 Show InChI InChI=1S/C27H24F4N8OS/c28-18-3-1-17(2-4-18)24-25(38(15-33-24)19-7-10-37(11-8-19)12-9-27(29,30)31)20-5-6-23-34-22(14-39(23)36-20)35-26(40)21-13-32-16-41-21/h1-6,13-16,19H,7-12H2,(H,35,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.159	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 II subunit alpha' (Homo sapiens (Human))	BDBM142834 (US8940736, 399) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N Show InChI InChI=1S/C18H13ClN8/c1-2-11-5-10(7-20)6-14(15(11)19)24-18-25-16(23-12-3-4-12)17-22-9-13(8-21)27(17)26-18/h2,5-6,9,12H,1,3-4H2,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142835 (US8940736, 402) Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142806 (US8940736, 229) Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.165	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 delta (Homo sapiens (Human))	BDBM274704 (N-(6-(4-(4-fluorophenyl)-1-(furan-3- ylmethyl)-1H-...) Show SMILES CC(C)(C)C(=O)Nc1cn2nc(ccc2n1)-c1c(ncn1Cc1ccoc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)24(33)29-20-13-32-21(28-20)9-8-19(30-32)23-22(17-4-6-18(26)7-5-17)27-15-31(23)12-16-10-11-34-14-16/h4-11,13-15H,12H2,1-3H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.169	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

Displayed 1 to 50 (of 10082 total )  |  Next  |  Last  >>

Jump to: