Compile Data Set for Download or QSAR

Found 827 hits Enz. Inhib. hit(s) with all data for entry = 1005   

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))	BDBM302443 (N5-Cyclopentyl-2-(3- fluorophenyl)-6,7- dihydropyr...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H22FN5O2/c20-13-5-3-4-12(10-13)17-16(18(21)26)15-11-24(8-9-25(15)23-17)19(27)22-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H2,21,26)(H,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302443 (N5-Cyclopentyl-2-(3- fluorophenyl)-6,7- dihydropyr...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C19H22FN5O2/c20-13-5-3-4-12(10-13)17-16(18(21)26)15-11-24(8-9-25(15)23-17)19(27)22-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11H2,(H2,21,26)(H,22,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302444 (N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClFN5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302444 (N5-(4-Chlorophenyl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClFN5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302447 (2-(3-Fluorophenyl)-N5- (1,1,1-trifluoro-2- methylp...) Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)C(F)F Show InChI InChI=1S/C18H20F3N5O2/c1-18(2,16(20)21)23-17(28)25-6-7-26-12(9-25)13(15(22)27)14(24-26)10-4-3-5-11(19)8-10/h3-5,8,16H,6-7,9H2,1-2H3,(H2,22,27)(H,23,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302450 (2-(3-Fluorophenyl)-N5- (4-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H17F2N5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302450 (2-(3-Fluorophenyl)-N5- (4-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H17F2N5O2/c21-13-4-6-15(7-5-13)24-20(29)26-8-9-27-16(11-26)17(19(23)28)18(25-27)12-2-1-3-14(22)10-12/h1-7,10H,8-9,11H2,(H2,23,28)(H,24,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302451 (2-(3-Fluorophenyl)-N5- (2-(4-fluorophenyl) propan-...) Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23F2N5O2/c1-23(2,15-6-8-16(24)9-7-15)27-22(32)29-10-11-30-18(13-29)19(21(26)31)20(28-30)14-4-3-5-17(25)12-14/h3-9,12H,10-11,13H2,1-2H3,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302453 (N5-(Adamantan-2-yl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:23:31:26.27.29,28:27:22.23.24:31,THB:21:22:31:26.27.29,26:25:22:28.27.29,26:27:22:24.25.31,(-2.46,1.95,;-1.37,3.04,;-1.77,4.52,;.12,2.64,;.59,1.17,;-.18,-.16,;.59,-1.49,;2.13,-1.49,;2.9,-.16,;2.13,1.17,;2.61,2.64,;1.36,3.54,;1.36,5.08,;.03,5.85,;.03,7.39,;1.36,8.16,;2.7,7.39,;4.03,8.16,;2.7,5.85,;-.18,-2.83,;-1.72,-2.83,;.59,-4.16,;-.18,-5.5,;-1.72,-5.5,;-2.49,-6.83,;-1.72,-8.16,;-3.26,-8.16,;-4.03,-6.83,;-3.26,-5.5,;-.74,-7.6,;.59,-6.83,;-.18,-8.16,)| Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-15(11-18)22-20(23(26)31)19-12-29(4-5-30(19)28-22)24(32)27-21-16-7-13-6-14(9-16)10-17(21)8-13/h1-3,11,13-14,16-17,21H,4-10,12H2,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302453 (N5-(Adamantan-2-yl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:23:31:26.27.29,28:27:22.23.24:31,THB:21:22:31:26.27.29,26:25:22:28.27.29,26:27:22:24.25.31,(-2.46,1.95,;-1.37,3.04,;-1.77,4.52,;.12,2.64,;.59,1.17,;-.18,-.16,;.59,-1.49,;2.13,-1.49,;2.9,-.16,;2.13,1.17,;2.61,2.64,;1.36,3.54,;1.36,5.08,;.03,5.85,;.03,7.39,;1.36,8.16,;2.7,7.39,;4.03,8.16,;2.7,5.85,;-.18,-2.83,;-1.72,-2.83,;.59,-4.16,;-.18,-5.5,;-1.72,-5.5,;-2.49,-6.83,;-1.72,-8.16,;-3.26,-8.16,;-4.03,-6.83,;-3.26,-5.5,;-.74,-7.6,;.59,-6.83,;-.18,-8.16,)| Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-15(11-18)22-20(23(26)31)19-12-29(4-5-30(19)28-22)24(32)27-21-16-7-13-6-14(9-16)10-17(21)8-13/h1-3,11,13-14,16-17,21H,4-10,12H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302455 (2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302455 (2-(3-Fluorophenyl)-N5- (4-(trifluoromethyl) phenyl...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H17F4N5O2/c22-14-3-1-2-12(10-14)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-15-6-4-13(5-7-15)21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302456 (N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27| Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-17(9-18)21-20(22(26)31)19-13-29(4-5-30(19)28-21)23(32)27-24-10-14-6-15(11-24)8-16(7-14)12-24/h1-3,9,14-16H,4-8,10-13H2,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302456 (N5-(Adamantan-1-yl)-2- (3-fluorophenyl)-6,7- dihyd...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:23.24.29,29:24:31:30.28.27,29:28:31:23.25.24,THB:25:24:30:31.26.27| Show InChI InChI=1S/C24H28FN5O2/c25-18-3-1-2-17(9-18)21-20(22(26)31)19-13-29(4-5-30(19)28-21)23(32)27-24-10-14-6-15(11-24)8-16(7-14)12-24/h1-3,9,14-16H,4-8,10-13H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302457 (2-(3-Fluorophenyl)-N5- ((2R,5S)-octahydro-2,5- met...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)NC12CC3CC1CC(C2)C3 |TLB:25:24:26.27:29,THB:25:26:30.24.23:29,27:28:23:26.25,27:26:23:30.28.29| Show InChI InChI=1S/C23H26FN5O2/c24-17-3-1-2-15(9-17)20-19(21(25)30)18-12-28(4-5-29(18)27-20)22(31)26-23-10-13-6-14(11-23)8-16(23)7-13/h1-3,9,13-14,16H,4-8,10-12H2,(H2,25,30)(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302459 (2-(3-Fluorophenyl)-N5- (2-phenylpropan-2-yl)- 6,7-...) Show SMILES CC(C)(NC(=O)N1CCn2nc(c(C(N)=O)c2C1)-c1cccc(F)c1)c1ccccc1 Show InChI InChI=1S/C23H24FN5O2/c1-23(2,16-8-4-3-5-9-16)26-22(31)28-11-12-29-18(14-28)19(21(25)30)20(27-29)15-7-6-10-17(24)13-15/h3-10,13H,11-12,14H2,1-2H3,(H2,25,30)(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302463 (N5-(3,4-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C20H16F3N5O2/c21-12-3-1-2-11(8-12)18-17(19(24)29)16-10-27(6-7-28(16)26-18)20(30)25-13-4-5-14(22)15(23)9-13/h1-5,8-9H,6-7,10H2,(H2,24,29)(H,25,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302465 (N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1 Show InChI InChI=1S/C20H16F3N5O2/c21-12-3-1-2-11(6-12)18-17(19(24)29)16-10-27(4-5-28(16)26-18)20(30)25-15-8-13(22)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,24,29)(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302465 (N5-(3,5-Difluorophenyl)- 2-(3-fluorophenyl)-6,7- d...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(F)cc(F)c1 Show InChI InChI=1S/C20H16F3N5O2/c21-12-3-1-2-11(6-12)18-17(19(24)29)16-10-27(4-5-28(16)26-18)20(30)25-15-8-13(22)7-14(23)9-15/h1-3,6-9H,4-5,10H2,(H2,24,29)(H,25,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302467 (N5-(5-Chloro-2- fluorophenyl)-2-(3- fluorophenyl)-...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1F Show InChI InChI=1S/C20H16ClF2N5O2/c21-12-4-5-14(23)15(9-12)25-20(30)27-6-7-28-16(10-27)17(19(24)29)18(26-28)11-2-1-3-13(22)8-11/h1-5,8-9H,6-7,10H2,(H2,24,29)(H,25,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302468 (N5-(2-Chloro-5- (trifluoromethyl)phenyl)- 2-(3-flu...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C21H16ClF4N5O2/c22-14-5-4-12(21(24,25)26)9-15(14)28-20(33)30-6-7-31-16(10-30)17(19(27)32)18(29-31)11-2-1-3-13(23)8-11/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302469 (N5-(4-Chloro-3- (trifluoromethyl)phenyl)- 2-(3-flu...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16ClF4N5O2/c22-15-5-4-13(9-14(15)21(24,25)26)28-20(33)30-6-7-31-16(10-30)17(19(27)32)18(29-31)11-2-1-3-12(23)8-11/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302469 (N5-(4-Chloro-3- (trifluoromethyl)phenyl)- 2-(3-flu...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16ClF4N5O2/c22-15-5-4-13(9-14(15)21(24,25)26)28-20(33)30-6-7-31-16(10-30)17(19(27)32)18(29-31)11-2-1-3-12(23)8-11/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302470 (N5-(2-Fluoro-3- (trifluoromethyl)phenyl)- 2-(3-flu...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1cccc(c1F)C(F)(F)F Show InChI InChI=1S/C21H16F5N5O2/c22-12-4-1-3-11(9-12)18-16(19(27)32)15-10-30(7-8-31(15)29-18)20(33)28-14-6-2-5-13(17(14)23)21(24,25)26/h1-6,9H,7-8,10H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302471 (2-(3-Fluorophenyl)-N5- (4-(trifluoromethoxy) pheny...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H17F4N5O3/c22-13-3-1-2-12(10-13)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-14-4-6-15(7-5-14)33-21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302471 (2-(3-Fluorophenyl)-N5- (4-(trifluoromethoxy) pheny...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H17F4N5O3/c22-13-3-1-2-12(10-13)18-17(19(26)31)16-11-29(8-9-30(16)28-18)20(32)27-14-4-6-15(7-5-14)33-21(23,24)25/h1-7,10H,8-9,11H2,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302472 (N5-(4-Cyano-3- (trifluoromethyl)phenyl)- 2-(3-fluo...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-14-3-1-2-12(8-14)19-18(20(28)33)17-11-31(6-7-32(17)30-19)21(34)29-15-5-4-13(10-27)16(9-15)22(24,25)26/h1-5,8-9H,6-7,11H2,(H2,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302472 (N5-(4-Cyano-3- (trifluoromethyl)phenyl)- 2-(3-fluo...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-14-3-1-2-12(8-14)19-18(20(28)33)17-11-31(6-7-32(17)30-19)21(34)29-15-5-4-13(10-27)16(9-15)22(24,25)26/h1-5,8-9H,6-7,11H2,(H2,28,33)(H,29,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302810 (2-(3-Chlorophenyl)-N5- (4-cyano-3- methoxyphenyl)-...) Show SMILES COc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H19ClN6O3/c1-32-18-10-16(6-5-14(18)11-24)26-22(31)28-7-8-29-17(12-28)19(21(25)30)20(27-29)13-3-2-4-15(23)9-13/h2-6,9-10H,7-8,12H2,1H3,(H2,25,30)(H,26,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302811 (2-(3-Chlorophenyl)-N5- (4-cyano-3- cyclopropylphen...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C1CC1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O2/c25-17-3-1-2-15(10-17)22-21(23(27)32)20-13-30(8-9-31(20)29-22)24(33)28-18-7-6-16(12-26)19(11-18)14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9,13H2,(H2,27,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302811 (2-(3-Chlorophenyl)-N5- (4-cyano-3- cyclopropylphen...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C1CC1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O2/c25-17-3-1-2-15(10-17)22-21(23(27)32)20-13-30(8-9-31(20)29-22)24(33)28-18-7-6-16(12-26)19(11-18)14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9,13H2,(H2,27,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302812 (N5-(3-(tert-Butyl)-4- cyanophenyl)-2-(3- chlorophe...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302812 (N5-(3-(tert-Butyl)-4- cyanophenyl)-2-(3- chlorophe...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)ccc1C#N |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H25ClN6O2/c1-25(2,3)19-12-18(8-7-16(19)13-27)29-24(34)31-9-10-32-20(14-31)21(23(28)33)22(30-32)15-5-4-6-17(26)11-15/h4-8,11-12H,9-10,14H2,1-3H3,(H2,28,33)(H,29,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302813 (N5-(4-(1H-Imidazol-1- yl)phenyl)-2-(3- chloropheny...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-n1ccnc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C23H20ClN7O2/c24-16-3-1-2-15(12-16)21-20(22(25)32)19-13-29(10-11-31(19)28-21)23(33)27-17-4-6-18(7-5-17)30-9-8-26-14-30/h1-9,12,14H,10-11,13H2,(H2,25,32)(H,27,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302813 (N5-(4-(1H-Imidazol-1- yl)phenyl)-2-(3- chloropheny...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-n1ccnc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C23H20ClN7O2/c24-16-3-1-2-15(12-16)21-20(22(25)32)19-13-29(10-11-31(19)28-21)23(33)27-17-4-6-18(7-5-17)30-9-8-26-14-30/h1-9,12,14H,10-11,13H2,(H2,25,32)(H,27,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302814 (2-(3-Chlorophenyl)-N5- (4-(oxazol-2-yl)phenyl)- 6,...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-c1ncco1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C23H19ClN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302814 (2-(3-Chlorophenyl)-N5- (4-(oxazol-2-yl)phenyl)- 6,...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-c1ncco1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C23H19ClN6O3/c24-16-3-1-2-15(12-16)20-19(21(25)31)18-13-29(9-10-30(18)28-20)23(32)27-17-6-4-14(5-7-17)22-26-8-11-33-22/h1-8,11-12H,9-10,13H2,(H2,25,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302815 (2-(3-Chlorophenyl)-N5- (1,1-dioxidobenzo[b] thioph...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc2C=CS(=O)(=O)c2c1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$,c:29| Show InChI InChI=1S/C22H18ClN5O4S/c23-15-3-1-2-14(10-15)20-19(21(24)29)17-12-27(7-8-28(17)26-20)22(30)25-16-5-4-13-6-9-33(31,32)18(13)11-16/h1-6,9-11H,7-8,12H2,(H2,24,29)(H,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302815 (2-(3-Chlorophenyl)-N5- (1,1-dioxidobenzo[b] thioph...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1cccc(Cl)c1)C(=O)Nc1ccc2C=CS(=O)(=O)c2c1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$,c:29| Show InChI InChI=1S/C22H18ClN5O4S/c23-15-3-1-2-14(10-15)20-19(21(24)29)17-12-27(7-8-28(17)26-20)22(30)25-16-5-4-13-6-9-33(31,32)18(13)11-16/h1-6,9-11H,7-8,12H2,(H2,24,29)(H,25,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302816 (2-(3-Chlorophenyl)-N5- (4-(2-methylthiazol-4- yl)p...) Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)cc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O2S/c1-14-27-19(13-34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-20(12-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11,13H,9-10,12H2,1H3,(H2,26,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302816 (2-(3-Chlorophenyl)-N5- (4-(2-methylthiazol-4- yl)p...) Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)cc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O2S/c1-14-27-19(13-34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-20(12-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11,13H,9-10,12H2,1H3,(H2,26,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302817 (2-(3-Chlorophenyl)-N5- (4-(2-methyloxazol-5- yl)ph...) Show SMILES Cc1ncc(o1)-c1ccc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)cc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O3/c1-14-27-12-20(34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-19(13-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11-12H,9-10,13H2,1H3,(H2,26,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302817 (2-(3-Chlorophenyl)-N5- (4-(2-methyloxazol-5- yl)ph...) Show SMILES Cc1ncc(o1)-c1ccc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2cccc(Cl)c2)cc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C24H21ClN6O3/c1-14-27-12-20(34-14)15-5-7-18(8-6-15)28-24(33)30-9-10-31-19(13-30)21(23(26)32)22(29-31)16-3-2-4-17(25)11-16/h2-8,11-12H,9-10,13H2,1H3,(H2,26,32)(H,28,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302818 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3-methylp...) Show SMILES Cc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2ccc(F)c(Cl)c2)ccc1C#N |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O2/c1-12-8-15(4-2-14(12)10-25)27-22(32)29-6-7-30-18(11-29)19(21(26)31)20(28-30)13-3-5-17(24)16(23)9-13/h2-5,8-9H,6-7,11H2,1H3,(H2,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302818 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3-methylp...) Show SMILES Cc1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2ccc(F)c(Cl)c2)ccc1C#N |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C22H18ClFN6O2/c1-12-8-15(4-2-14(12)10-25)27-22(32)29-6-7-30-18(11-29)19(21(26)31)20(28-30)13-3-5-17(24)16(23)9-13/h2-5,8-9H,6-7,11H2,1H3,(H2,26,31)(H,27,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302819 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3- morpho...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)N1CCOCC1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H23ClFN7O3/c26-18-11-15(2-4-19(18)27)23-22(24(29)35)21-14-33(5-6-34(21)31-23)25(36)30-17-3-1-16(13-28)20(12-17)32-7-9-37-10-8-32/h1-4,11-12H,5-10,14H2,(H2,29,35)(H,30,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302819 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3- morpho...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)N1CCOCC1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H23ClFN7O3/c26-18-11-15(2-4-19(18)27)23-22(24(29)35)21-14-33(5-6-34(21)31-23)25(36)30-17-3-1-16(13-28)20(12-17)32-7-9-37-10-8-32/h1-4,11-12H,5-10,14H2,(H2,29,35)(H,30,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302820 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3- cyclop...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C1CC1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C24H20ClFN6O2/c25-18-9-14(4-6-19(18)26)22-21(23(28)33)20-12-31(7-8-32(20)30-22)24(34)29-16-5-3-15(11-27)17(10-16)13-1-2-13/h3-6,9-10,13H,1-2,7-8,12H2,(H2,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM302820 (2-(3-Chloro-4-fluorophenyl)- N5-(4-cyano-3- cyclop...) Show SMILES NC(=O)c1c2CN(CCn2nc1-c1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C1CC1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$| Show InChI InChI=1S/C24H20ClFN6O2/c25-18-9-14(4-6-19(18)26)22-21(23(28)33)20-12-31(7-8-32(20)30-22)24(34)29-16-5-3-15(11-27)17(10-16)13-1-2-13/h3-6,9-10,13H,1-2,7-8,12H2,(H2,28,33)(H,29,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM302821 (N5-(3-(tert-Butyl)-4- cyanophenyl)-2-(3-chloro-4- ...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCn3nc(c(C(N)=O)c3C2)-c2ccc(F)c(Cl)c2)ccc1C#N |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C25H24ClFN6O2/c1-25(2,3)17-11-16(6-4-15(17)12-28)30-24(35)32-8-9-33-20(13-32)21(23(29)34)22(31-33)14-5-7-19(27)18(26)10-14/h4-7,10-11H,8-9,13H2,1-3H3,(H2,29,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9598423 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2JT9
					More data for this Ligand-Target Pair

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