Compile Data Set for Download or QSAR

Found 949 hits Enz. Inhib. hit(s) with all data for entry = 501   

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 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))	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))	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 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 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 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 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))	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))	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 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 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 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 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 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 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 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
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM274452 (N-(6-(1-(1-((1H-pyrazol-5- yl)methyl)piperidin-4-y...) Show SMILES Cc1nn(C)cc1CN1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H30F2N10O/c1-20-23(16-41(2)39-20)17-42-13-10-25(11-14-42)43-19-36-30(21-3-5-24(33)6-4-21)31(43)26-7-8-29-37-28(18-44(29)40-26)38-32(45)22-9-12-35-27(34)15-22/h3-9,12,15-16,18-19,25H,10-11,13-14,17H2,1-2H3,(H,38,45)	PDB UniProtKB/SwissProt B.MOAD 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))	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.171	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))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.172	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))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.173	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))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.175	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))	BDBM274486 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-hydroxy...) Show SMILES CC(C)(O)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2N8O3/c1-30(2,43)29(42)38-13-10-21(11-14-38)39-17-34-26(18-3-5-20(31)6-4-18)27(39)22-7-8-25-35-24(16-40(25)37-22)36-28(41)19-9-12-33-23(32)15-19/h3-9,12,15-17,21,43H,10-11,13-14H2,1-2H3,(H,36,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.178	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))	BDBM274514 (US9556179, Compound 84 | methyl 4-(5-(2-(2- fluoro...) Show SMILES COC(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H24F2N8O3/c1-41-28(40)36-12-9-20(10-13-36)37-16-32-25(17-2-4-19(29)5-3-17)26(37)21-6-7-24-33-23(15-38(24)35-21)34-27(39)18-8-11-31-22(30)14-18/h2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,34,39)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.179	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 delta (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 UniProtKB/SwissProt B.MOAD 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 delta (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 UniProtKB/SwissProt B.MOAD 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))	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 delta (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.186	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))	BDBM274492 (2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1- (2-morphol...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)CN2CCOCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C32H31F2N9O3/c33-23-3-1-21(2-4-23)30-31(42(20-36-30)24-8-11-41(12-9-24)29(44)19-40-13-15-46-16-14-40)25-5-6-28-37-27(18-43(28)39-25)38-32(45)22-7-10-35-26(34)17-22/h1-7,10,17-18,20,24H,8-9,11-16,19H2,(H,38,45)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.186	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))	BDBM274763 (N-(6-(4-(4-fluorophenyl)-1,2- dimethyl-1H-imidazol...) Show SMILES Cc1nc(c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C)-c1ccc(F)cc1 Show InChI InChI=1S/C27H20FN7O/c1-16-30-25(17-5-7-21(28)8-6-17)26(34(16)2)22-9-10-24-31-23(15-35(24)33-22)32-27(36)19-3-4-20-14-29-12-11-18(20)13-19/h3-15H,1-2H3,(H,32,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.187	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))	BDBM274484 (2-fluoro-N-(6-(1-(1-(4- fluorobenzoyl)piperidin-4-...) Show SMILES Fc1ccc(cc1)C(=O)N1CCC(CC1)n1cnc(c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H25F3N8O2/c34-23-5-1-20(2-6-23)30-31(43(19-38-30)25-12-15-42(16-13-25)33(46)21-3-7-24(35)8-4-21)26-9-10-29-39-28(18-44(29)41-26)40-32(45)22-11-14-37-27(36)17-22/h1-11,14,17-19,25H,12-13,15-16H2,(H,40,45)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	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))	BDBM274593 (N-(6-(4-(4-fluorophenyl)-1- (2-morpholinoethyl)-1H...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CCN3CCOCC3)CC2)c1-c1ccc2nc(NC(=O)c3ccnc4ccccc34)cn2n1 Show InChI InChI=1S/C36H36FN9O2/c37-26-7-5-25(6-8-26)34-35(45(24-39-34)27-12-15-43(16-13-27)17-18-44-19-21-48-22-20-44)31-9-10-33-40-32(23-46(33)42-31)41-36(47)29-11-14-38-30-4-2-1-3-28(29)30/h1-11,14,23-24,27H,12-13,15-22H2,(H,41,47)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.192	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))	BDBM274499 (N-(6-(1-(1- (cyclobutanecarbonyl)piperidin-4-yl)-4...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(CC2)C(=O)C2CCC2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1 Show InChI InChI=1S/C31H28F2N8O2/c32-22-6-4-19(5-7-22)28-29(40(18-35-28)23-11-14-39(15-12-23)31(43)20-2-1-3-20)24-8-9-27-36-26(17-41(27)38-24)37-30(42)21-10-13-34-25(33)16-21/h4-10,13,16-18,20,23H,1-3,11-12,14-15H2,(H,37,42)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.193	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))	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.194	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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