Compile Data Set for Download or QSAR

Found 20526 hits with Last Name = 'dodd' and Initial = 'ds'   

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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM516908 (US11053244, Example 328 | US11053244, Example 329) Show SMILES COc1cc(c[nH]\c1=N/C=N)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(-7.63,-.56,;-6.09,-.56,;-5.32,.77,;-3.78,.77,;-3.01,2.1,;-3.78,3.44,;-5.32,3.44,;-6.09,2.1,;-7.63,2.1,;-8.4,3.44,;-9.94,3.44,;-1.47,2.1,;-.56,3.35,;.9,2.87,;2.23,3.64,;3.57,2.87,;4.9,3.64,;3.57,1.33,;2.23,.56,;.9,1.33,;-.56,.86,;-1.04,-.61,;-2.55,-.93,;-.01,-1.75,;4.9,.56,;6.23,1.33,;7.57,.56,;7.57,-.98,;6.23,-1.75,;4.9,-.98,;8.9,-1.75,;8.9,-3.29,;7.66,-4.19,;8.13,-5.66,;9.67,-5.66,;10.15,-4.19,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427894 (US10544143, Example 328 | US10544143, Example 329 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(10.05,1.98,;8.51,1.98,;7.74,.65,;6.2,.65,;5.43,-.69,;6.2,-2.02,;7.74,-2.02,;8.77,-3.16,;10.18,-2.54,;10.02,-1.01,;8.51,-.69,;3.89,-.69,;2.99,-1.93,;1.52,-1.46,;.19,-2.23,;-1.14,-1.46,;-2.48,-2.23,;-1.14,.08,;.19,.85,;1.52,.08,;2.99,.56,;3.39,2.05,;2.3,3.14,;4.87,2.45,;-2.48,.85,;-3.81,.08,;-5.14,.85,;-5.14,2.39,;-3.81,3.16,;-2.48,2.39,;-6.48,3.16,;-7.81,2.39,;-9.28,2.87,;-10.18,1.62,;-9.28,.38,;-7.81,.85,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427894 (US10544143, Example 328 | US10544143, Example 329 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(10.05,1.98,;8.51,1.98,;7.74,.65,;6.2,.65,;5.43,-.69,;6.2,-2.02,;7.74,-2.02,;8.77,-3.16,;10.18,-2.54,;10.02,-1.01,;8.51,-.69,;3.89,-.69,;2.99,-1.93,;1.52,-1.46,;.19,-2.23,;-1.14,-1.46,;-2.48,-2.23,;-1.14,.08,;.19,.85,;1.52,.08,;2.99,.56,;3.39,2.05,;2.3,3.14,;4.87,2.45,;-2.48,.85,;-3.81,.08,;-5.14,.85,;-5.14,2.39,;-3.81,3.16,;-2.48,2.39,;-6.48,3.16,;-7.81,2.39,;-9.28,2.87,;-10.18,1.62,;-9.28,.38,;-7.81,.85,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM428633 (US10544143, Example 1069 | US10544143, Example 107...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)| Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM428633 (US10544143, Example 1069 | US10544143, Example 107...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)| Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM428633 (US10544143, Example 1069 | US10544143, Example 107...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)| Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM273647 (US10071079, Example 432 | US10478424, Example 432) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)C(CCO)CCO)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C28H37N5O2/c1-18(2)26-24-15-21(20-6-10-32(11-7-20)23(8-12-34)9-13-35)4-5-25(24)31-27(26)22-14-19(3)28-29-17-30-33(28)16-22/h4-5,14-18,20,23,31,34-35H,6-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10478424 (2019) BindingDB Entry DOI: 10.7270/Q2QZ2DB0
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM273647 (US10071079, Example 432 | US10478424, Example 432) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)C(CCO)CCO)-c1cc(C)c2ncnn2c1 Show InChI InChI=1S/C28H37N5O2/c1-18(2)26-24-15-21(20-6-10-32(11-7-20)23(8-12-34)9-13-35)4-5-25(24)31-27(26)22-14-19(3)28-29-17-30-33(28)16-22/h4-5,14-18,20,23,31,34-35H,6-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10071079 (2018) BindingDB Entry DOI: 10.7270/Q2VD71GV
					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 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))	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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427907 (US10544143, Example 341 | US10544143, Example 342 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-8.05,.85,;-6.72,.08,;-9.54,1.25,;-9.94,-.23,;-8.45,-.63,)| Show InChI InChI=1S/C28H35FN6O2/c1-16(2)23-25(18-9-22(36-4)27-31-15-32-35(27)11-18)33-21-10-20(29)24(34-26(21)23)17-5-7-19(8-6-17)30-12-28(3)13-37-14-28/h9-11,15-17,19,30,33H,5-8,12-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428547 (US10544143, Example 983 | US10730877, Example 983 ...) Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428533 (US10544143, Example 969 | US10730877, Example 969 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C(=O)CN(C)CCO)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C27H36N8O2/c1-17(2)24-25(20-14-35-27(28-16-29-35)19(4)18(20)3)30-21-6-7-22(31-26(21)24)33-8-10-34(11-9-33)23(37)15-32(5)12-13-36/h6-7,14,16-17,30,36H,8-13,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428533 (US10544143, Example 969 | US10730877, Example 969 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C(=O)CN(C)CCO)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C27H36N8O2/c1-17(2)24-25(20-14-35-27(28-16-29-35)19(4)18(20)3)30-21-6-7-22(31-26(21)24)33-8-10-34(11-9-33)23(37)15-32(5)12-13-36/h6-7,14,16-17,30,36H,8-13,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428547 (US10544143, Example 983 | US10730877, Example 983 ...) Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427907 (US10544143, Example 341 | US10544143, Example 342 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-8.05,.85,;-6.72,.08,;-9.54,1.25,;-9.94,-.23,;-8.45,-.63,)| Show InChI InChI=1S/C28H35FN6O2/c1-16(2)23-25(18-9-22(36-4)27-31-15-32-35(27)11-18)33-21-10-20(29)24(34-26(21)23)17-5-7-19(8-6-17)30-12-28(3)13-37-14-28/h9-11,15-17,19,30,33H,5-8,12-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428547 (US10544143, Example 983 | US10730877, Example 983 ...) Show SMILES CC(C)[C@H]1CN(CCN1)c1ccc2[nH]c(c(C(C)C)c2n1)-c1cn2ncnc2c(C)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM428533 (US10544143, Example 969 | US10730877, Example 969 ...) Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CC1)C(=O)CN(C)CCO)-c1cn2ncnc2c(C)c1C Show InChI InChI=1S/C27H36N8O2/c1-17(2)24-25(20-14-35-27(28-16-29-35)19(4)18(20)3)30-21-6-7-22(31-26(21)24)33-8-10-34(11-9-33)23(37)15-32(5)12-13-36/h6-7,14,16-17,30,36H,8-13,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427907 (US10544143, Example 341 | US10544143, Example 342 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-8.05,.85,;-6.72,.08,;-9.54,1.25,;-9.94,-.23,;-8.45,-.63,)| Show InChI InChI=1S/C28H35FN6O2/c1-16(2)23-25(18-9-22(36-4)27-31-15-32-35(27)11-18)33-21-10-20(29)24(34-26(21)23)17-5-7-19(8-6-17)30-12-28(3)13-37-14-28/h9-11,15-17,19,30,33H,5-8,12-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					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 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))	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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427891 (US10544143, Example 325 | US10544143, Example 326 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N1CCC1 |(9.15,1.24,;7.61,1.24,;6.84,-.1,;5.3,-.1,;4.53,-1.43,;5.3,-2.76,;6.84,-2.76,;7.87,-3.91,;9.27,-3.28,;9.11,-1.75,;7.61,-1.43,;2.99,-1.43,;2.08,-2.68,;.62,-2.2,;-.72,-2.97,;-2.05,-2.2,;-3.39,-2.97,;-2.05,-.66,;-.72,.11,;.62,-.66,;2.08,-.18,;2.48,1.3,;1.39,2.39,;3.97,1.7,;-3.39,.11,;-4.72,-.66,;-6.05,.11,;-6.05,1.65,;-4.72,2.42,;-3.39,1.65,;-7.39,2.42,;-7.79,3.91,;-9.27,3.51,;-8.87,2.02,)| Show InChI InChI=1S/C27H34N6O/c1-16(2)23-25(19-13-22(34-4)27-28-15-29-33(27)14-19)30-21-12-17(3)24(31-26(21)23)18-6-8-20(9-7-18)32-10-5-11-32/h12-16,18,20,30H,5-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427891 (US10544143, Example 325 | US10544143, Example 326 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N1CCC1 |(9.15,1.24,;7.61,1.24,;6.84,-.1,;5.3,-.1,;4.53,-1.43,;5.3,-2.76,;6.84,-2.76,;7.87,-3.91,;9.27,-3.28,;9.11,-1.75,;7.61,-1.43,;2.99,-1.43,;2.08,-2.68,;.62,-2.2,;-.72,-2.97,;-2.05,-2.2,;-3.39,-2.97,;-2.05,-.66,;-.72,.11,;.62,-.66,;2.08,-.18,;2.48,1.3,;1.39,2.39,;3.97,1.7,;-3.39,.11,;-4.72,-.66,;-6.05,.11,;-6.05,1.65,;-4.72,2.42,;-3.39,1.65,;-7.39,2.42,;-7.79,3.91,;-9.27,3.51,;-8.87,2.02,)| Show InChI InChI=1S/C27H34N6O/c1-16(2)23-25(19-13-22(34-4)27-28-15-29-33(27)14-19)30-21-12-17(3)24(31-26(21)23)18-6-8-20(9-7-18)32-10-5-11-32/h12-16,18,20,30H,5-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427891 (US10544143, Example 325 | US10544143, Example 326 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N1CCC1 |(9.15,1.24,;7.61,1.24,;6.84,-.1,;5.3,-.1,;4.53,-1.43,;5.3,-2.76,;6.84,-2.76,;7.87,-3.91,;9.27,-3.28,;9.11,-1.75,;7.61,-1.43,;2.99,-1.43,;2.08,-2.68,;.62,-2.2,;-.72,-2.97,;-2.05,-2.2,;-3.39,-2.97,;-2.05,-.66,;-.72,.11,;.62,-.66,;2.08,-.18,;2.48,1.3,;1.39,2.39,;3.97,1.7,;-3.39,.11,;-4.72,-.66,;-6.05,.11,;-6.05,1.65,;-4.72,2.42,;-3.39,1.65,;-7.39,2.42,;-7.79,3.91,;-9.27,3.51,;-8.87,2.02,)| Show InChI InChI=1S/C27H34N6O/c1-16(2)23-25(19-13-22(34-4)27-28-15-29-33(27)14-19)30-21-12-17(3)24(31-26(21)23)18-6-8-20(9-7-18)32-10-5-11-32/h12-16,18,20,30H,5-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427896 (US10544143, Example 330 | US10544143, Example 331 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N(C)C1COC1 |(9.81,1.21,;8.27,1.21,;7.5,-.12,;5.96,-.12,;5.19,-1.46,;5.96,-2.79,;7.5,-2.79,;8.53,-3.93,;9.94,-3.31,;9.78,-1.78,;8.27,-1.46,;3.65,-1.46,;2.75,-2.7,;1.28,-2.23,;-.05,-3,;-1.39,-2.23,;-2.72,-3,;-1.39,-.69,;-.05,.08,;1.28,-.69,;2.75,-.21,;3.15,1.28,;2.06,2.37,;4.63,1.68,;-2.72,.08,;-4.05,-.69,;-5.39,.08,;-5.39,1.62,;-4.05,2.39,;-2.72,1.62,;-6.72,2.39,;-6.72,3.93,;-8.05,1.62,;-9.54,2.02,;-9.94,.54,;-8.45,.14,)| Show InChI InChI=1S/C28H36N6O2/c1-16(2)24-26(19-11-23(35-5)28-29-15-30-34(28)12-19)31-22-10-17(3)25(32-27(22)24)18-6-8-20(9-7-18)33(4)21-13-36-14-21/h10-12,15-16,18,20-21,31H,6-9,13-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S46W4Z
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427896 (US10544143, Example 330 | US10544143, Example 331 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N(C)C1COC1 |(9.81,1.21,;8.27,1.21,;7.5,-.12,;5.96,-.12,;5.19,-1.46,;5.96,-2.79,;7.5,-2.79,;8.53,-3.93,;9.94,-3.31,;9.78,-1.78,;8.27,-1.46,;3.65,-1.46,;2.75,-2.7,;1.28,-2.23,;-.05,-3,;-1.39,-2.23,;-2.72,-3,;-1.39,-.69,;-.05,.08,;1.28,-.69,;2.75,-.21,;3.15,1.28,;2.06,2.37,;4.63,1.68,;-2.72,.08,;-4.05,-.69,;-5.39,.08,;-5.39,1.62,;-4.05,2.39,;-2.72,1.62,;-6.72,2.39,;-6.72,3.93,;-8.05,1.62,;-9.54,2.02,;-9.94,.54,;-8.45,.14,)| Show InChI InChI=1S/C28H36N6O2/c1-16(2)24-26(19-11-23(35-5)28-29-15-30-34(28)12-19)31-22-10-17(3)25(32-27(22)24)18-6-8-20(9-7-18)33(4)21-13-36-14-21/h10-12,15-16,18,20-21,31H,6-9,13-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10730877 (2020) BindingDB Entry DOI: 10.7270/Q2H41VH3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM427896 (US10544143, Example 330 | US10544143, Example 331 ...) Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)N(C)C1COC1 |(9.81,1.21,;8.27,1.21,;7.5,-.12,;5.96,-.12,;5.19,-1.46,;5.96,-2.79,;7.5,-2.79,;8.53,-3.93,;9.94,-3.31,;9.78,-1.78,;8.27,-1.46,;3.65,-1.46,;2.75,-2.7,;1.28,-2.23,;-.05,-3,;-1.39,-2.23,;-2.72,-3,;-1.39,-.69,;-.05,.08,;1.28,-.69,;2.75,-.21,;3.15,1.28,;2.06,2.37,;4.63,1.68,;-2.72,.08,;-4.05,-.69,;-5.39,.08,;-5.39,1.62,;-4.05,2.39,;-2.72,1.62,;-6.72,2.39,;-6.72,3.93,;-8.05,1.62,;-9.54,2.02,;-9.94,.54,;-8.45,.14,)| Show InChI InChI=1S/C28H36N6O2/c1-16(2)24-26(19-11-23(35-5)28-29-15-30-34(28)12-19)31-22-10-17(3)25(32-27(22)24)18-6-8-20(9-7-18)33(4)21-13-36-14-21/h10-12,15-16,18,20-21,31H,6-9,13-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...				US Patent US10544143 (2020) BindingDB Entry DOI: 10.7270/Q2QF8W80
					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

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