Found 1109 hits with Last Name = 'simmons' and Initial = 'rl' 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 |
|---|
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151989
(US8987457, 183)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC2CCOCC2)cc1F |r,wU:3.13,1.0,5.5,7.8,(-.67,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,;-3.33,1.93,;-4.67,2.69,;-4.67,4.23,;-6,5,;-7.34,5.78,;-3.33,-4.23,;-4.67,-5,;-4.67,-6.54,;-3.33,-7.31,;-2,-6.54,;-2,-5,;-.67,-4.23,;.67,-5,;.67,-6.54,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;2,-2.69,;3.33,-.38,;2,.38,;.67,-.38,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;7.34,5,;7.34,6.54,;6,7.31,;4.67,6.54,;4.67,1.93,;4.67,.38,;6,-.38,)| Show InChI InChI=1S/C32H34F3N5O4/c1-18-13-19(14-26(37)31(18)43-10-2-8-36)22-5-9-38-17-28(22)40-32(41)27-4-3-23(33)30(39-27)29-24(34)15-21(16-25(29)35)44-20-6-11-42-12-7-20/h3-5,9,15-20,26,31H,2,6-7,10-14,37H2,1H3,(H,40,41)/t18-,19+,26+,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151905
(US8987457, 99)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1CCOCC1 |r,wU:6.10,8.9,3.3,2.1,(-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.39,;-2,-1.92,;-3.33,-2.69,;-4.67,-1.92,;-4.67,-.38,;-6,.39,;-3.33,-4.23,;-4.67,-5,;-4.67,-6.54,;-3.33,-7.31,;-2,-6.54,;-2,-5,;-.67,-4.23,;.67,-5,;.67,-6.54,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;2,-2.69,;3.33,-.38,;2,.38,;.67,-.38,;2,1.93,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,-.38,;3.33,4.23,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;2,5,)| Show InChI InChI=1S/C30H33F3N4O3/c1-16-11-19(14-24(34)29(16)39-2)20-5-8-35-15-26(20)37-30(38)25-4-3-21(31)28(36-25)27-22(32)12-18(13-23(27)33)17-6-9-40-10-7-17/h3-5,8,12-13,15-17,19,24,29H,6-7,9-11,14,34H2,1-2H3,(H,37,38)/t16-,19+,24+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151889
(US8987457, 83)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:3.13,5.5,1.0,7.8,(-.67,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.39,;-6,1.16,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-2,5,;-.67,5.78,;.67,6.54,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-3.33,-6.54,;-2,-5.78,;-2,-4.23,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;3.33,-4.23,;4.67,-3.47,;4.67,-1.93,;6,-1.15,;3.33,-1.15,;2,-1.93,;3.33,.38,;2,1.15,;.67,.38,;2,2.69,;3.33,3.47,;3.33,5,;4.67,2.69,;4.67,1.15,;6,.38,)| Show InChI InChI=1S/C28H28F3N5O2/c1-15-10-20(30)25(21(31)11-15)26-19(29)4-5-23(35-26)28(37)36-24-14-34-8-6-18(24)17-12-16(2)27(22(33)13-17)38-9-3-7-32/h4-6,8,10-11,14,16-17,22,27H,3,9,12-13,33H2,1-2H3,(H,36,37)/t16-,17+,22+,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151870
(US8987457, 64)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C25H26F2N6O2S/c1-13-10-14(11-18(29)22(13)35-9-3-7-28)15-6-8-31-12-19(15)32-24(34)21-23(30)36-25(33-21)20-16(26)4-2-5-17(20)27/h2,4-6,8,12-14,18,22H,3,9-11,29-30H2,1H3,(H,32,34)/t13-,14+,18+,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151959
(US8987457, 153)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(F)CCOCC1 |r,wU:3.13,1.0,5.5,7.8,(,.38,;-1.33,-.38,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,;-2.67,.38,;-2.67,1.93,;-4,2.69,;-4,4.23,;-5.33,5,;-6.67,5.78,;-2.67,-4.23,;-4,-5,;-4,-6.54,;-2.67,-7.31,;-1.33,-6.54,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;6.67,-1.92,;4,-1.93,;2.67,-2.69,;4,-.38,;2.67,.38,;1.33,-.38,;2.67,1.93,;4,2.69,;5.33,1.93,;5.33,.38,;6.67,-.38,;4,4.23,;5.33,3.47,;5.33,5,;5.33,6.54,;4,7.31,;2.67,6.54,;2.67,5,)| Show InChI InChI=1S/C32H33F4N5O3/c1-18-13-19(14-25(38)30(18)44-10-2-8-37)21-5-9-39-17-27(21)41-31(42)26-4-3-22(33)29(40-26)28-23(34)15-20(16-24(28)35)32(36)6-11-43-12-7-32/h3-5,9,15-19,25,30H,2,6-7,10-14,38H2,1H3,(H,41,42)/t18-,19+,25+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151972
(US8987457, 166)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.13,1.0,5.5,7.8,(-.67,1.15,;-2,.38,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.38,;-6,1.15,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-2,5,;-.67,5.78,;.67,6.54,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-3.33,-6.54,;-2,-5.78,;-2,-4.23,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;2,-1.93,;3.33,-1.15,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.77,;3.33,.38,;2,1.15,;.67,.38,;2,2.69,;3.33,3.47,;4.67,2.69,;4.67,1.15,;6,.38,)| Show InChI InChI=1S/C27H27F3N6O2/c1-14-10-15(11-21(33)26(14)38-9-3-7-31)16-6-8-34-13-22(16)35-27(37)25-20(32)12-19(30)24(36-25)23-17(28)4-2-5-18(23)29/h2,4-6,8,12-15,21,26H,3,9-11,32-33H2,1H3,(H,35,37)/t14-,15+,21+,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151879
(US8987457, 73)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:3.15,5.5,1.0,7.8,(-.67,.87,;-2,.1,;-2,-1.44,;-3.33,-2.21,;-4.67,-1.44,;-4.67,.1,;-6,.87,;-3.33,.87,;-3.33,2.41,;-2,3.18,;-2,4.72,;-.67,5.49,;.67,6.26,;-1.44,6.83,;.1,4.16,;-3.33,-3.75,;-4.67,-4.52,;-4.67,-6.06,;-3.33,-6.83,;-2,-6.06,;-2,-4.52,;-.67,-3.75,;.67,-4.52,;.67,-6.06,;2,-3.75,;3.33,-4.52,;4.67,-3.75,;4.67,-2.21,;6,-1.44,;3.33,-1.44,;2,-2.21,;3.33,.1,;2,.87,;.67,.1,;2,2.41,;3.33,3.18,;3.33,4.72,;4.67,2.41,;4.67,.87,;6,.1,)| Show InChI InChI=1S/C28H31F3N4O4S/c1-15-10-20(30)25(21(31)11-15)26-19(29)4-5-23(34-26)28(36)35-24-14-33-7-6-18(24)17-12-16(2)27(22(32)13-17)39-8-9-40(3,37)38/h4-7,10-11,14,16-17,22,27H,8-9,12-13,32H2,1-3H3,(H,35,36)/t16-,17+,22+,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151980
(US8987457, 174)Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:6.6,11.12,5.4,(.67,4.23,;-.67,3.47,;-2,4.23,;-2,5.78,;-3.33,3.47,;-3.33,1.93,;-2,1.15,;-.67,1.93,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.15,;-6,1.93,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;2,-1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;4.67,-2.69,;3.33,-3.46,;3.33,-5,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;4.67,3.47,;4.67,1.93,;6,1.15,)| Show InChI InChI=1S/C25H26F3N7O3/c1-12-10-35(11-17(30)21(12)34-25(37)38-2)19-6-7-31-9-18(19)32-24(36)23-16(29)8-15(28)22(33-23)20-13(26)4-3-5-14(20)27/h3-9,12,17,21H,10-11,29-30H2,1-2H3,(H,32,36)(H,34,37)/t12-,17+,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151982
(US8987457, 176)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.14,1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;2,-1.18,;3.33,-.41,;4.67,-1.18,;6,-.41,;4.67,-2.72,;3.33,-3.49,;3.33,-5.03,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C26H25F3N8O/c1-13-9-14(10-20(31)25(13)37-8-7-33-36-37)15-5-6-32-12-21(15)34-26(38)24-19(30)11-18(29)23(35-24)22-16(27)3-2-4-17(22)28/h2-8,11-14,20,25H,9-10,30-31H2,1H3,(H,34,38)/t13-,14+,20+,25-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151990
(US8987457, 184)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1 |r,wU:3.13,1.0,5.5,7.8,(,.84,;-1.33,.07,;-1.33,-1.47,;-2.67,-2.24,;-4,-1.47,;-4,.07,;-5.33,.84,;-2.67,.84,;-2.67,2.38,;-4,3.15,;-4,4.69,;-5.33,5.46,;-6.67,6.23,;-2.67,-3.78,;-4,-4.55,;-4,-6.09,;-2.67,-6.86,;-1.33,-6.09,;-1.33,-4.55,;,-3.78,;1.33,-4.55,;1.33,-6.09,;2.67,-3.78,;4,-4.55,;5.33,-3.78,;5.33,-2.24,;6.67,-1.47,;4,-1.47,;2.67,-2.24,;4,.07,;2.67,.84,;1.33,.07,;2.67,2.38,;4,3.15,;5.33,2.38,;5.33,.84,;6.67,.07,;4,4.69,;5.33,3.92,;5.09,5.77,;4,6.86,;2.91,5.77,)| Show InChI InChI=1S/C31H32F3N5O3/c1-17-12-18(13-24(36)29(17)42-11-3-9-35)20-6-10-37-16-26(20)39-30(40)25-5-4-21(32)28(38-25)27-22(33)14-19(15-23(27)34)31(41)7-2-8-31/h4-6,10,14-18,24,29,41H,2-3,7-8,11-13,36H2,1H3,(H,39,40)/t17-,18+,24+,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151901
(US8987457, 95)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C(C)C |r,wU:6.10,8.9,3.3,2.1,(-2,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;3.33,-.77,;2,-1.54,;3.33,.77,;2,1.54,;.67,.77,;2,3.08,;3.33,3.85,;4.67,3.08,;4.67,1.54,;6,.77,;3.33,5.39,;4.67,6.16,;2,6.16,)| Show InChI InChI=1S/C28H31F3N4O2/c1-14(2)16-10-20(30)25(21(31)11-16)26-19(29)5-6-23(34-26)28(36)35-24-13-33-8-7-18(24)17-9-15(3)27(37-4)22(32)12-17/h5-8,10-11,13-15,17,22,27H,9,12,32H2,1-4H3,(H,35,36)/t15-,17+,22+,27-/m0/s1 | PDB
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151907
(US8987457, 101)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC(C)C)cc1F |r,wU:6.10,8.9,3.3,2.1,(-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-4.67,,;-6,.77,;-3.33,-3.85,;-4.67,-4.62,;-4.67,-6.16,;-3.33,-6.93,;-2,-6.16,;-2,-4.62,;-.67,-3.85,;.67,-4.62,;.67,-6.16,;2,-3.85,;3.33,-4.62,;4.67,-3.85,;4.67,-2.31,;6,-1.54,;3.33,-1.54,;2,-2.31,;3.33,,;2,.77,;.67,,;2,2.31,;3.33,3.08,;3.33,4.62,;4.67,5.39,;4.67,6.93,;6,4.62,;4.67,2.31,;4.67,.77,;6,,)| Show InChI InChI=1S/C28H31F3N4O3/c1-14(2)38-17-11-20(30)25(21(31)12-17)26-19(29)5-6-23(34-26)28(36)35-24-13-33-8-7-18(24)16-9-15(3)27(37-4)22(32)10-16/h5-8,11-16,22,27H,9-10,32H2,1-4H3,(H,35,36)/t15-,16+,22+,27-/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151924
(US8987457, 118)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOCC1 |r,wU:3.15,5.5,1.0,7.8,(.1,.39,;-1.23,-.38,;-1.23,-1.92,;-2.56,-2.69,;-3.9,-1.92,;-3.9,-.38,;-5.23,.39,;-2.56,.38,;-2.56,1.93,;-3.9,2.69,;-3.9,4.23,;-5.23,5,;-5.23,6.54,;-6.77,5,;-6,3.67,;-2.56,-4.23,;-3.9,-5,;-3.9,-6.54,;-2.56,-7.31,;-1.23,-6.54,;-1.23,-5,;.1,-4.23,;1.44,-5,;1.44,-6.54,;2.77,-4.23,;4.1,-5,;5.44,-4.23,;5.44,-2.69,;6.77,-1.92,;4.1,-1.93,;2.77,-2.69,;4.1,-.38,;2.77,.38,;1.44,-.38,;2.77,1.93,;4.1,2.69,;5.44,1.93,;5.44,.38,;6.77,-.38,;4.1,4.23,;5.44,3.47,;5.44,5,;5.44,6.54,;4.1,7.31,;2.77,6.54,;2.77,5,)| Show InChI InChI=1S/C32H37F3N4O6S/c1-18-13-19(14-25(36)30(18)45-11-12-46(2,42)43)21-5-8-37-17-27(21)39-31(40)26-4-3-22(33)29(38-26)28-23(34)15-20(16-24(28)35)32(41)6-9-44-10-7-32/h3-5,8,15-19,25,30,41H,6-7,9-14,36H2,1-2H3,(H,39,40)/t18-,19+,25+,30-/m0/s1 | PDB
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151941
(US8987457, 135)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C25H29F2N5O4S2/c1-13-10-14(11-18(28)22(13)36-8-9-38(2,34)35)15-6-7-30-12-19(15)31-24(33)21-23(29)37-25(32-21)20-16(26)4-3-5-17(20)27/h3-7,12-14,18,22H,8-11,28-29H2,1-2H3,(H,31,33)/t13-,14+,18+,22-/m0/s1 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151943
(US8987457, 137)Show SMILES CO[C@@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC2CCOCC2)cc1F |r,wU:6.10,3.3,8.9,wD:2.1,(-5.33,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-4,-4.23,;-5.33,-5,;-5.33,-6.54,;-4,-7.31,;-2.67,-6.54,;-2.67,-5,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.92,;2.67,-1.93,;1.33,-2.69,;2.67,-.38,;1.33,.38,;,-.38,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.24,;6.67,5,;6.67,6.54,;5.33,7.31,;4,6.54,;4,1.93,;4,.38,;5.33,-.38,)| Show InChI InChI=1S/C30H33F3N4O4/c1-16-11-17(12-24(34)29(16)39-2)20-5-8-35-15-26(20)37-30(38)25-4-3-21(31)28(36-25)27-22(32)13-19(14-23(27)33)41-18-6-9-40-10-7-18/h3-5,8,13-18,24,29H,6-7,9-12,34H2,1-2H3,(H,37,38)/t16-,17+,24+,29+/m0/s1 | PDB
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151945
(US8987457, 139)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1 |r,wU:3.15,1.0,5.5,wD:7.8,(-.2,.84,;-1.53,.07,;-1.53,-1.47,;-2.87,-2.24,;-4.2,-1.47,;-4.2,.07,;-5.53,.84,;-2.87,.84,;-2.87,2.38,;-4.2,3.15,;-3.8,4.63,;-5.14,5.4,;-6.47,4.63,;-5.91,6.74,;-4.37,6.74,;-2.87,-3.78,;-4.2,-4.55,;-4.2,-6.09,;-2.87,-6.86,;-1.53,-6.09,;-1.53,-4.55,;-.2,-3.78,;1.13,-4.55,;1.13,-6.09,;2.47,-3.78,;3.8,-4.55,;5.14,-3.78,;5.14,-2.24,;6.47,-1.47,;3.8,-1.47,;2.47,-2.24,;3.8,.07,;2.47,.84,;1.13,.07,;2.47,2.38,;3.8,3.15,;5.14,2.38,;5.14,.84,;6.47,.07,;3.8,4.69,;5.14,3.92,;4.89,5.78,;3.8,6.86,;2.71,5.78,)| Show InChI InChI=1S/C31H35F3N4O5S/c1-17-12-18(13-24(35)29(17)43-10-11-44(2,41)42)20-6-9-36-16-26(20)38-30(39)25-5-4-21(32)28(37-25)27-22(33)14-19(15-23(27)34)31(40)7-3-8-31/h4-6,9,14-18,24,29,40H,3,7-8,10-13,35H2,1-2H3,(H,38,39)/t17-,18+,24+,29+/m0/s1 | PDB
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151946
(US8987457, 140)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC2CCOCC2)cc1F |r,wU:3.15,1.0,5.5,wD:7.8,(-.87,.38,;-2.2,-.38,;-2.2,-1.93,;-3.53,-2.69,;-4.87,-1.93,;-4.87,-.38,;-6.2,.38,;-3.53,.38,;-3.53,1.93,;-4.87,2.69,;-4.47,4.18,;-5.8,4.95,;-7.14,4.18,;-6.57,6.29,;-5.03,6.29,;-3.53,-4.23,;-4.87,-5,;-4.87,-6.54,;-3.53,-7.31,;-2.2,-6.54,;-2.2,-5,;-.87,-4.23,;.47,-5,;.47,-6.54,;1.8,-4.23,;3.13,-5,;4.47,-4.23,;4.47,-2.69,;5.8,-1.92,;3.13,-1.93,;1.8,-2.69,;3.13,-.38,;1.8,.38,;.47,-.38,;1.8,1.93,;3.13,2.69,;3.13,4.23,;4.47,5,;5.8,4.24,;7.14,5,;7.14,6.54,;5.8,7.31,;4.47,6.54,;4.47,1.93,;4.47,.38,;5.8,-.38,)| Show InChI InChI=1S/C32H37F3N4O6S/c1-18-13-19(14-26(36)31(18)44-11-12-46(2,41)42)22-5-8-37-17-28(22)39-32(40)27-4-3-23(33)30(38-27)29-24(34)15-21(16-25(29)35)45-20-6-9-43-10-7-20/h3-5,8,15-20,26,31H,6-7,9-14,36H2,1-2H3,(H,39,40)/t18-,19+,26+,31+/m0/s1 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151947
(US8987457, 141)Show SMILES CC(C)Oc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)[C@H](OCCS(C)(=O)=O)[C@H](N)C1 |r,wU:28.30,30.33,40.43,32.35,(6,6.93,;6,5.39,;7.34,4.62,;4.67,4.62,;4.67,3.08,;3.33,2.31,;3.33,.77,;2,,;4.67,,;6,.77,;7.34,,;6,2.31,;4.67,-1.54,;3.33,-2.31,;3.33,-3.85,;4.67,-4.62,;6,-3.85,;6,-2.31,;7.34,-1.54,;2,-4.62,;2,-6.16,;.67,-3.85,;-.67,-4.62,;-.67,-6.16,;-2,-6.93,;-3.33,-6.16,;-3.33,-4.62,;-2,-3.85,;-2,-2.31,;-.67,-1.54,;-.67,,;.67,.77,;-2,.77,;-2,2.31,;-3.33,3.08,;-4.67,2.31,;-6,3.08,;-6.77,1.75,;-7.34,3.85,;-5.23,4.41,;-3.33,,;-4.67,.77,;-3.33,-1.54,)| Show InChI InChI=1S/C30H35F3N4O5S/c1-16(2)42-19-13-22(32)27(23(33)14-19)28-21(31)5-6-25(36-28)30(38)37-26-15-35-8-7-20(26)18-11-17(3)29(24(34)12-18)41-9-10-43(4,39)40/h5-8,13-18,24,29H,9-12,34H2,1-4H3,(H,37,38)/t17-,18+,24+,29-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151948
(US8987457, 142)Show SMILES CO[C@@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC(C)C)cc1F |r,wU:6.10,3.3,8.9,wD:2.1,(-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-4.67,,;-6,.77,;-3.33,-3.85,;-4.67,-4.62,;-4.67,-6.16,;-3.33,-6.93,;-2,-6.16,;-2,-4.62,;-.67,-3.85,;.67,-4.62,;.67,-6.16,;2,-3.85,;3.33,-4.62,;4.67,-3.85,;4.67,-2.31,;6,-1.54,;3.33,-1.54,;2,-2.31,;3.33,,;2,.77,;.67,,;2,2.31,;3.33,3.08,;3.33,4.62,;4.67,5.39,;4.67,6.93,;6,4.62,;4.67,2.31,;4.67,.77,;6,,)| Show InChI InChI=1S/C28H31F3N4O3/c1-14(2)38-17-11-20(30)25(21(31)12-17)26-19(29)5-6-23(34-26)28(36)35-24-13-33-8-7-18(24)16-9-15(3)27(37-4)22(32)10-16/h5-8,11-16,22,27H,9-10,32H2,1-4H3,(H,35,36)/t15-,16+,22+,27+/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151950
(US8987457, 144)Show SMILES COc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)[C@H](OCCS(C)(=O)=O)[C@H](N)C1 |r,wU:26.28,28.31,38.41,30.33,(5.33,5.49,;4,4.72,;4,3.18,;2.67,2.41,;2.67,.87,;1.33,.1,;4,.1,;5.33,.87,;6.67,.1,;5.33,2.41,;4,-1.44,;2.67,-2.21,;2.67,-3.75,;4,-4.52,;5.33,-3.75,;5.33,-2.21,;6.67,-1.44,;1.33,-4.52,;1.33,-6.06,;,-3.75,;-1.33,-4.52,;-1.33,-6.06,;-2.67,-6.83,;-4,-6.06,;-4,-4.52,;-2.67,-3.75,;-2.67,-2.21,;-1.33,-1.44,;-1.33,.1,;,.87,;-2.67,.87,;-2.67,2.41,;-4,3.18,;-4,4.72,;-5.33,5.49,;-6.1,4.16,;-6.67,6.26,;-4.56,6.83,;-4,.1,;-5.33,.87,;-4,-1.44,)| Show InChI InChI=1S/C28H31F3N4O5S/c1-15-10-16(11-22(32)27(15)40-8-9-41(3,37)38)18-6-7-33-14-24(18)35-28(36)23-5-4-19(29)26(34-23)25-20(30)12-17(39-2)13-21(25)31/h4-7,12-16,22,27H,8-11,32H2,1-3H3,(H,35,36)/t15-,16+,22+,27-/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151952
(US8987457, 146)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCS(C)(=O)=O)c1ccncc1NC(=O)c1nc(c(F)cc1N)-c1c(F)cccc1F |r,wU:3.15,1.0,5.5,7.8,(,.87,;-1.33,.1,;-1.33,-1.44,;-2.67,-2.21,;-4,-1.44,;-4,.1,;-5.33,.87,;-2.67,.87,;-2.67,2.41,;-4,3.18,;-4,4.72,;-5.33,5.49,;-6.1,4.16,;-6.67,6.26,;-4.56,6.83,;-2.67,-3.75,;-4,-4.52,;-4,-6.06,;-2.67,-6.83,;-1.33,-6.06,;-1.33,-4.52,;,-3.75,;1.33,-4.52,;1.33,-6.06,;2.67,-3.75,;2.67,-2.21,;4,-1.44,;5.33,-2.21,;6.67,-1.44,;5.33,-3.75,;4,-4.52,;4,-6.06,;4,.1,;2.67,.87,;1.33,.1,;2.67,2.41,;4,3.18,;5.33,2.41,;5.33,.87,;6.67,.1,)| Show InChI InChI=1S/C27H30F3N5O4S/c1-14-10-15(11-21(32)26(14)39-8-9-40(2,37)38)16-6-7-33-13-22(16)34-27(36)25-20(31)12-19(30)24(35-25)23-17(28)4-3-5-18(23)29/h3-7,12-15,21,26H,8-11,31-32H2,1-2H3,(H,34,36)/t14-,15+,21+,26-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151954
(US8987457, 148)Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC(C)C)cc1F |r,wU:6.6,11.12,5.4,(.67,3.08,;-.67,2.31,;-2,3.08,;-2,4.62,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-4.67,,;-6,.77,;-3.33,-3.85,;-4.67,-4.62,;-4.67,-6.16,;-3.33,-6.93,;-2,-6.16,;-2,-4.62,;-.67,-3.85,;.67,-4.62,;.67,-6.16,;2,-3.85,;3.33,-4.62,;4.67,-3.85,;4.67,-2.31,;6,-1.54,;3.33,-1.54,;2,-2.31,;3.33,,;2,.77,;.67,,;2,2.31,;3.33,3.08,;3.33,4.62,;4.67,5.39,;4.67,6.93,;6,4.62,;4.67,2.31,;4.67,.77,;6,,)| Show InChI InChI=1S/C28H31F3N6O4/c1-14(2)41-16-9-18(30)24(19(31)10-16)26-17(29)5-6-21(34-26)27(38)35-22-11-33-8-7-23(22)37-12-15(3)25(20(32)13-37)36-28(39)40-4/h5-11,14-15,20,25H,12-13,32H2,1-4H3,(H,35,38)(H,36,39)/t15-,20+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151965
(US8987457, 159)Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC2CCOCC2)cc1F |r,wU:6.6,11.12,5.4,(-7.17,3.7,;-6.08,2.62,;-4.59,3.01,;-4.19,4.5,;-3.5,1.93,;-3.5,.38,;-2.17,-.38,;-.83,.38,;-2.17,-1.93,;-3.5,-2.69,;-4.84,-1.93,;-4.84,-.38,;-6.17,.38,;-3.5,-4.23,;-4.84,-5,;-4.84,-6.54,;-3.5,-7.31,;-2.17,-6.54,;-2.17,-5,;-.83,-4.23,;.5,-5,;.5,-6.54,;1.83,-4.23,;3.17,-5,;4.5,-4.23,;4.5,-2.69,;5.83,-1.92,;3.17,-1.93,;1.83,-2.69,;3.17,-.38,;1.83,.38,;.5,-.38,;1.83,1.93,;3.17,2.69,;3.17,4.23,;4.5,5,;5.83,4.24,;7.17,5,;7.17,6.54,;5.83,7.31,;4.5,6.54,;4.5,1.93,;4.5,.38,;5.83,-.38,)| Show InChI InChI=1S/C30H33F3N6O5/c1-16-14-39(15-22(34)27(16)38-30(41)42-2)25-5-8-35-13-24(25)37-29(40)23-4-3-19(31)28(36-23)26-20(32)11-18(12-21(26)33)44-17-6-9-43-10-7-17/h3-5,8,11-13,16-17,22,27H,6-7,9-10,14-15,34H2,1-2H3,(H,37,40)(H,38,41)/t16-,22+,27-/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151967
(US8987457, 161)Show SMILES C[C@H]1CN(C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;3.33,5.75,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C26H25F3N8O/c1-14-9-17(28)23(18(29)10-14)24-16(27)3-4-20(33-24)26(38)34-21-11-31-6-5-22(21)36-12-15(2)25(19(30)13-36)37-8-7-32-35-37/h3-11,15,19,25H,12-13,30H2,1-2H3,(H,34,38)/t15-,19+,25-/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151971
(US8987457, 165)Show SMILES COc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)[C@H](OCCC#N)[C@H](N)C1 |r,wU:26.28,28.31,36.39,30.33,(4.67,5.78,;3.33,5,;3.33,3.47,;2,2.69,;2,1.15,;.67,.38,;3.33,.38,;4.67,1.15,;6,.38,;4.67,2.69,;3.33,-1.15,;2,-1.93,;2,-3.47,;3.33,-4.23,;4.67,-3.47,;4.67,-1.93,;6,-1.15,;.67,-4.23,;.67,-5.78,;-.67,-3.47,;-2,-4.23,;-2,-5.78,;-3.33,-6.54,;-4.67,-5.78,;-4.67,-4.23,;-3.33,-3.47,;-3.33,-1.93,;-2,-1.15,;-2,.38,;-.67,1.15,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-2,5,;-.67,5.78,;.67,6.54,;-4.67,.38,;-6,1.15,;-4.67,-1.15,)| Show InChI InChI=1S/C28H28F3N5O3/c1-15-10-16(11-22(33)27(15)39-9-3-7-32)18-6-8-34-14-24(18)36-28(37)23-5-4-19(29)26(35-23)25-20(30)12-17(38-2)13-21(25)31/h4-6,8,12-16,22,27H,3,9-11,33H2,1-2H3,(H,36,37)/t15-,16+,22+,27-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151839
(US8987457, 33)Show SMILES CS[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.10,3.3,8.9,2.1,(-2,5.01,;-3.33,4.23,;-3.33,2.69,;-2,1.93,;-.67,2.69,;-2,.38,;-3.33,-.39,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,-1.93,;-4.67,-2.7,;-4.67,-4.24,;-3.33,-5.01,;-2,-4.24,;-2,-2.7,;-.67,-1.93,;.67,-2.7,;.67,-4.24,;2,-1.93,;3.33,-2.7,;4.67,-1.93,;4.67,-.39,;6,.38,;3.33,.38,;2,-.39,;3.33,1.92,;2,2.69,;.67,1.93,;2,4.23,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,)| Show InChI InChI=1S/C25H25F3N4OS/c1-13-10-14(11-19(29)24(13)34-2)15-8-9-30-12-21(15)32-25(33)20-7-6-18(28)23(31-20)22-16(26)4-3-5-17(22)27/h3-9,12-14,19,24H,10-11,29H2,1-2H3,(H,32,33)/t13-,14+,19+,24-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151862
(US8987457, 56)Show SMILES C[C@H]1CN(C[C@@H](N)[C@H]1n1cncn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C25H23F3N8O/c1-14-10-35(11-18(29)24(14)36-13-31-12-32-36)21-7-8-30-9-20(21)34-25(37)19-6-5-17(28)23(33-19)22-15(26)3-2-4-16(22)27/h2-9,12-14,18,24H,10-11,29H2,1H3,(H,34,37)/t14-,18+,24-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151864
(US8987457, 58)Show SMILES COC(=O)N(C)[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:12.13,7.7,6.5,(.67,4.24,;-.67,3.47,;-2,4.24,;-2,5.78,;-3.33,3.46,;-4.67,4.23,;-3.33,1.92,;-2,1.16,;-.67,1.93,;-2,-.38,;-3.33,-1.16,;-4.67,-.38,;-4.67,1.16,;-6,1.93,;-3.33,-2.7,;-4.67,-3.47,;-4.67,-5.01,;-3.33,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;.67,-5.01,;2,-2.7,;3.33,-3.46,;4.67,-2.7,;4.67,-1.16,;6,-.38,;3.33,-.39,;2,-1.16,;3.33,1.15,;2,1.92,;.67,1.15,;2,3.46,;3.33,4.23,;3.33,5.77,;4.67,3.46,;4.67,1.92,;6,1.15,)| Show InChI InChI=1S/C27H29F3N6O3/c1-14-9-17(29)23(18(30)10-14)24-16(28)5-6-20(33-24)26(37)34-21-11-32-8-7-22(21)36-12-15(2)25(19(31)13-36)35(3)27(38)39-4/h5-11,15,19,25H,12-13,31H2,1-4H3,(H,34,37)/t15-,19+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151977
(US8987457, 171)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(OC2CCOCC2)cc1F |r,wU:3.14,1.0,5.5,7.8,(-1.33,.38,;-2.67,-.38,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-5.25,2.83,;-4.77,4.29,;-3.23,4.29,;-2.76,2.83,;-4,-4.23,;-5.33,-5,;-5.33,-6.54,;-4,-7.31,;-2.67,-6.54,;-2.67,-5,;-1.33,-4.23,;,-5,;,-6.54,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;5.33,-1.92,;2.67,-1.93,;1.33,-2.69,;2.67,-.38,;1.33,.38,;,-.38,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.24,;6.67,5,;6.67,6.54,;5.33,7.31,;4,6.54,;4,1.93,;4,.38,;5.33,-.38,)| Show InChI InChI=1S/C31H32F3N7O3/c1-17-12-18(13-25(35)30(17)41-9-8-37-40-41)21-4-7-36-16-27(21)39-31(42)26-3-2-22(32)29(38-26)28-23(33)14-20(15-24(28)34)44-19-5-10-43-11-6-19/h2-4,7-9,14-19,25,30H,5-6,10-13,35H2,1H3,(H,39,42)/t17-,18+,25+,30-/m0/s1 | PDB
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| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151985
(US8987457, 179)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOCC1 |r,wU:3.14,1.0,5.5,7.8,(-.67,.38,;-2,-.38,;-2,-1.93,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-6,.38,;-3.33,.38,;-3.33,1.93,;-4.58,2.83,;-4.1,4.29,;-2.56,4.29,;-2.09,2.83,;-3.33,-4.23,;-4.67,-5,;-4.67,-6.54,;-3.33,-7.31,;-2,-6.54,;-2,-5,;-.67,-4.23,;.67,-5,;.67,-6.54,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;2,-2.69,;3.33,-.38,;2,.38,;.67,-.38,;2,1.93,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,-.38,;3.33,4.23,;4.67,3.47,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;2,5,)| Show InChI InChI=1S/C31H32F3N7O3/c1-17-12-18(13-24(35)29(17)41-9-8-37-40-41)20-4-7-36-16-26(20)39-30(42)25-3-2-21(32)28(38-25)27-22(33)14-19(15-23(27)34)31(43)5-10-44-11-6-31/h2-4,7-9,14-18,24,29,43H,5-6,10-13,35H2,1H3,(H,39,42)/t17-,18+,24+,29-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151894
(US8987457, 88)Show SMILES CCO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.11,9.10,4.4,3.2,(-4.67,5.78,;-4.67,4.24,;-3.33,3.46,;-3.33,1.92,;-2,1.16,;-.67,1.93,;-2,-.38,;-3.33,-1.16,;-4.67,-.38,;-4.67,1.16,;-6,1.93,;-3.33,-2.7,;-4.67,-3.47,;-4.67,-5.01,;-3.33,-5.78,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;.67,-5.01,;2,-2.7,;3.33,-3.46,;4.67,-2.7,;4.67,-1.16,;6,-.38,;3.33,-.39,;2,-1.16,;3.33,1.15,;2,1.92,;.67,1.15,;2,3.46,;3.33,4.23,;4.67,3.46,;4.67,1.92,;6,1.15,)| Show InChI InChI=1S/C26H27F3N4O2/c1-3-35-25-14(2)11-15(12-20(25)30)16-9-10-31-13-22(16)33-26(34)21-8-7-19(29)24(32-21)23-17(27)5-4-6-18(23)28/h4-10,13-15,20,25H,3,11-12,30H2,1-2H3,(H,33,34)/t14-,15+,20+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151999
(US8987457, 193)Show SMILES COc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1N1C[C@H](C)[C@@H]([C@H](N)C1)n1ccnn1 |r,wU:28.31,31.34,30.37,(4.67,6.16,;3.33,5.39,;3.33,3.85,;2,3.08,;2,1.54,;.67,.77,;3.33,.77,;4.67,1.54,;6,.77,;4.67,3.08,;3.33,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;.67,-3.85,;.67,-5.39,;-.67,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-4.67,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-2,-.77,;-2,.77,;-.67,1.54,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-4.67,-.77,;-3.33,3.08,;-4.58,3.99,;-4.1,5.45,;-2.56,5.45,;-2.09,3.99,)| Show InChI InChI=1S/C26H25F3N8O2/c1-14-12-36(13-19(30)25(14)37-8-7-32-35-37)22-5-6-31-11-21(22)34-26(38)20-4-3-16(27)24(33-20)23-17(28)9-15(39-2)10-18(23)29/h3-11,14,19,25H,12-13,30H2,1-2H3,(H,34,38)/t14-,19+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151900
(US8987457, 94)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1CCS(=O)(=O)CC1 |r,wU:6.10,8.9,3.3,2.1,(-2,2.03,;-3.33,1.26,;-3.33,-.28,;-2,-1.05,;-.67,-.28,;-2,-2.59,;-3.33,-3.36,;-4.67,-2.59,;-4.67,-1.05,;-6,-.28,;-3.33,-4.9,;-4.67,-5.67,;-4.67,-7.21,;-3.33,-7.98,;-2,-7.21,;-2,-5.67,;-.67,-4.9,;.67,-5.67,;.67,-7.21,;2,-4.9,;3.33,-5.67,;4.67,-4.9,;4.67,-3.36,;6,-2.59,;3.33,-2.59,;2,-3.36,;3.33,-1.05,;2,-.28,;.67,-1.05,;2,1.26,;3.33,2.03,;4.67,1.26,;4.67,-.28,;6,-1.05,;3.33,3.57,;4.67,4.34,;4.67,5.88,;3.33,6.65,;2.56,7.98,;4.1,7.98,;2,5.88,;2,4.34,)| Show InChI InChI=1S/C30H33F3N4O4S/c1-16-11-19(14-24(34)29(16)41-2)20-5-8-35-15-26(20)37-30(38)25-4-3-21(31)28(36-25)27-22(32)12-18(13-23(27)33)17-6-9-42(39,40)10-7-17/h3-5,8,12-13,15-17,19,24,29H,6-7,9-11,14,34H2,1-2H3,(H,37,38)/t16-,19+,24+,29-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151908
(US8987457, 102)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:6.10,8.9,3.3,2.1,(-2,4.23,;-3.33,3.47,;-3.33,1.93,;-2,1.16,;-.67,1.93,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.16,;-6,1.93,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)| Show InChI InChI=1S/C26H27F3N4O2/c1-13-8-18(28)23(19(29)9-13)24-17(27)4-5-21(32-24)26(34)33-22-12-31-7-6-16(22)15-10-14(2)25(35-3)20(30)11-15/h4-9,12,14-15,20,25H,10-11,30H2,1-3H3,(H,33,34)/t14-,15+,20+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151923
(US8987457, 117)Show SMILES CO[C@@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCOCC1 |r,wU:6.10,8.9,3.3,wD:2.1,(-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.39,;-2,-1.92,;-3.33,-2.69,;-4.67,-1.92,;-4.67,-.38,;-6,.39,;-3.33,-4.23,;-4.67,-5,;-4.67,-6.54,;-3.33,-7.31,;-2,-6.54,;-2,-5,;-.67,-4.23,;.67,-5,;.67,-6.54,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;6,-1.92,;3.33,-1.93,;2,-2.69,;3.33,-.38,;2,.38,;.67,-.38,;2,1.93,;3.33,2.69,;4.67,1.93,;4.67,.38,;6,-.38,;3.33,4.23,;4.67,3.47,;4.67,5,;4.67,6.54,;3.33,7.31,;2,6.54,;2,5,)| Show InChI InChI=1S/C30H33F3N4O4/c1-16-11-17(12-23(34)28(16)40-2)19-5-8-35-15-25(19)37-29(38)24-4-3-20(31)27(36-24)26-21(32)13-18(14-22(26)33)30(39)6-9-41-10-7-30/h3-5,8,13-17,23,28,39H,6-7,9-12,34H2,1-2H3,(H,37,38)/t16-,17+,23+,28+/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151929
(US8987457, 123)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1Oc1ccccn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.16,5.5,1.0,7.8,(-.67,1.54,;-2,.77,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-3.33,1.54,;-3.33,3.08,;-2,3.85,;-.67,3.08,;.67,3.85,;.67,5.39,;-.67,6.16,;-2,5.39,;-3.33,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-3.33,-6.16,;-2,-5.39,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;.67,-5.39,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;3.33,-.77,;2,-1.54,;3.33,.77,;2,1.54,;.67,.77,;2,3.08,;3.33,3.85,;4.67,3.08,;4.67,1.54,;6,.77,)| Show InChI InChI=1S/C29H26F3N5O2/c1-16-13-17(14-22(33)28(16)39-25-7-2-3-11-35-25)18-10-12-34-15-24(18)37-29(38)23-9-8-21(32)27(36-23)26-19(30)5-4-6-20(26)31/h2-12,15-17,22,28H,13-14,33H2,1H3,(H,37,38)/t16-,17+,22+,28-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151936
(US8987457, 130)Show SMILES COCCOc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1[C@@H]1C[C@H](C)[C@H](OCCS(C)(=O)=O)[C@H](N)C1 |r,wU:29.31,31.34,41.44,33.36,(8,4.62,;6.67,5.39,;5.33,4.62,;4,5.39,;2.67,4.62,;2.67,3.08,;1.33,2.31,;1.33,.77,;;2.67,,;4,.77,;5.33,,;4,2.31,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;4,-3.85,;4,-2.31,;5.33,-1.54,;,-4.62,;,-6.16,;-1.33,-3.85,;-2.67,-4.62,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-4,.77,;-4,2.31,;-5.33,3.08,;-5.33,4.62,;-6.67,5.39,;-6.67,6.93,;-7.44,4.06,;-8,6.16,;-5.33,,;-6.67,.77,;-5.33,-1.54,)| Show InChI InChI=1S/C30H35F3N4O6S/c1-17-12-18(13-24(34)29(17)43-10-11-44(3,39)40)20-6-7-35-16-26(20)37-30(38)25-5-4-21(31)28(36-25)27-22(32)14-19(15-23(27)33)42-9-8-41-2/h4-7,14-18,24,29H,8-13,34H2,1-3H3,(H,37,38)/t17-,18+,24+,29-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151944
(US8987457, 138)Show SMILES CO[C@@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(cc1F)C1(O)CCC1 |r,wU:6.10,3.3,8.9,wD:2.1,(-4.67,3.15,;-3.33,2.38,;-3.33,.84,;-2,.07,;-.67,.84,;-2,-1.47,;-3.33,-2.24,;-4.67,-1.47,;-4.67,.07,;-6,.84,;-3.33,-3.78,;-4.67,-4.55,;-4.67,-6.09,;-3.33,-6.86,;-2,-6.09,;-2,-4.55,;-.67,-3.78,;.67,-4.55,;.67,-6.09,;2,-3.78,;3.33,-4.55,;4.67,-3.78,;4.67,-2.24,;6,-1.47,;3.33,-1.47,;2,-2.24,;3.33,.07,;2,.84,;.67,.07,;2,2.38,;3.33,3.15,;4.67,2.38,;4.67,.84,;6,.07,;3.33,4.69,;4.67,3.92,;4.42,5.78,;3.33,6.86,;2.25,5.78,)| Show InChI InChI=1S/C29H31F3N4O3/c1-15-10-16(11-22(33)27(15)39-2)18-6-9-34-14-24(18)36-28(37)23-5-4-19(30)26(35-23)25-20(31)12-17(13-21(25)32)29(38)7-3-8-29/h4-6,9,12-16,22,27,38H,3,7-8,10-11,33H2,1-2H3,(H,36,37)/t15-,16+,22+,27+/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151953
(US8987457, 147)Show SMILES CC(C)Oc1cc(F)c(c(F)c1)-c1nc(ccc1F)C(=O)Nc1cnccc1N1C[C@H](C)[C@@H]([C@H](N)C1)n1ccnn1 |r,wU:30.33,33.36,32.39,(4.02,7.06,;4.42,5.58,;5.91,5.18,;3.33,4.49,;3.33,2.95,;2,2.18,;2,.64,;.67,-.13,;3.33,-.13,;4.67,.64,;6,-.13,;4.67,2.18,;3.33,-1.67,;2,-2.44,;2,-3.98,;3.33,-4.75,;4.67,-3.98,;4.67,-2.44,;6,-1.67,;.67,-4.75,;.67,-6.29,;-.67,-3.98,;-2,-4.75,;-2,-6.29,;-3.33,-7.06,;-4.67,-6.29,;-4.67,-4.75,;-3.33,-3.98,;-3.33,-2.44,;-2,-1.67,;-2,-.13,;-.67,.64,;-3.33,.64,;-4.67,-.13,;-6,.64,;-4.67,-1.67,;-3.33,2.18,;-4.58,3.08,;-4.1,4.55,;-2.56,4.55,;-2.09,3.08,)| Show InChI InChI=1S/C28H29F3N8O2/c1-15(2)41-17-10-19(30)25(20(31)11-17)26-18(29)4-5-22(35-26)28(40)36-23-12-33-7-6-24(23)38-13-16(3)27(21(32)14-38)39-9-8-34-37-39/h4-12,15-16,21,27H,13-14,32H2,1-3H3,(H,36,40)/t16-,21+,27-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151811
(US8987457, 5)Show SMILES C[C@H]1CN(C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C25H23F3N8O/c1-14-12-35(13-18(29)24(14)36-10-9-31-34-36)21-7-8-30-11-20(21)33-25(37)19-6-5-17(28)23(32-19)22-15(26)3-2-4-16(22)27/h2-11,14,18,24H,12-13,29H2,1H3,(H,33,37)/t14-,18+,24-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151855
(US8987457, 49)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1cncn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.14,1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C26H24F3N7O/c1-14-9-15(10-20(30)25(14)36-13-32-12-33-36)16-7-8-31-11-22(16)35-26(37)21-6-5-19(29)24(34-21)23-17(27)3-2-4-18(23)28/h2-8,11-15,20,25H,9-10,30H2,1H3,(H,35,37)/t14-,15+,20+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151867
(US8987457, 61)Show SMILES COC(=O)N(C)[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:12.13,7.7,6.5,(-6.67,4.23,;-5.33,3.47,;-4,4.23,;-4,5.78,;-2.67,3.47,;-1.33,4.24,;-2.67,1.93,;-1.33,1.16,;,1.93,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-4,1.16,;-5.33,1.93,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-2.69,;4,-3.46,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;4,-.38,;2.67,-1.15,;4,1.15,;2.67,1.93,;1.33,1.15,;2.67,3.47,;4,4.23,;5.33,3.47,;5.33,1.93,;6.67,1.15,)| Show InChI InChI=1S/C26H27F3N6O3/c1-14-12-35(13-18(30)24(14)34(2)26(37)38-3)21-9-10-31-11-20(21)33-25(36)19-8-7-17(29)23(32-19)22-15(27)5-4-6-16(22)28/h4-11,14,18,24H,12-13,30H2,1-3H3,(H,33,36)/t14-,18+,24-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151868
(US8987457, 62)Show SMILES CO[C@@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:6.10,8.9,3.3,wD:2.1,(-2,4.24,;-3.33,3.47,;-3.33,1.93,;-2,1.16,;-.67,1.93,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.16,;-6,1.93,;-3.33,-2.69,;-4.67,-3.47,;-4.67,-5,;-3.33,-5.78,;-2,-5,;-2,-3.47,;-.67,-2.69,;.67,-3.47,;.67,-5,;2,-2.69,;3.33,-3.46,;4.67,-2.69,;4.67,-1.15,;6,-.38,;3.33,-.38,;2,-1.15,;3.33,1.15,;2,1.93,;.67,1.15,;2,3.47,;3.33,4.23,;3.33,5.78,;4.67,3.47,;4.67,1.93,;6,1.15,)| Show InChI InChI=1S/C26H27F3N4O2/c1-13-8-18(28)23(19(29)9-13)24-17(27)4-5-21(32-24)26(34)33-22-12-31-7-6-16(22)15-10-14(2)25(35-3)20(30)11-15/h4-9,12,14-15,20,25H,10-11,30H2,1-3H3,(H,33,34)/t14-,15+,20+,25+/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151872
(US8987457, 66)Show SMILES C[C@H]1CN(C[C@@H](N)[C@H]1n1cc(CO)nn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,7.8,(-.67,.56,;-2,-.21,;-2,-1.75,;-3.33,-2.52,;-4.67,-1.75,;-4.67,-.21,;-6,.56,;-3.33,.56,;-3.33,2.1,;-2.09,3.01,;-2.56,4.47,;-1.79,5.8,;-2.56,7.14,;-4.1,4.47,;-4.58,3.01,;-3.33,-4.06,;-4.67,-4.83,;-4.67,-6.37,;-3.33,-7.14,;-2,-6.37,;-2,-4.83,;-.67,-4.06,;.67,-4.83,;.67,-6.37,;2,-4.06,;3.33,-4.83,;4.67,-4.06,;4.67,-2.52,;6,-1.75,;3.33,-1.75,;2,-2.52,;3.33,-.21,;2,.56,;.67,-.21,;2,2.1,;3.33,2.87,;4.67,2.1,;4.67,.56,;6,-.21,)| Show InChI InChI=1S/C26H25F3N8O2/c1-14-10-36(12-19(30)25(14)37-11-15(13-38)34-35-37)22-7-8-31-9-21(22)33-26(39)20-6-5-18(29)24(32-20)23-16(27)3-2-4-17(23)28/h2-9,11,14,19,25,38H,10,12-13,30H2,1H3,(H,33,39)/t14-,19+,25-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151878
(US8987457, 72)Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C23H25F2N7O3S/c1-11-9-32(10-14(26)18(11)31-23(34)35-2)16-6-7-28-8-15(16)29-21(33)19-20(27)36-22(30-19)17-12(24)4-3-5-13(17)25/h3-8,11,14,18H,9-10,26-27H2,1-2H3,(H,29,33)(H,31,34)/t11-,14+,18-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151886
(US8987457, 80)Show SMILES COC(=O)N[C@H]1[C@@H](C)CN(C[C@H]1N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:11.12,6.6,5.4,(-6.67,4.23,;-5.33,3.47,;-4,4.23,;-4,5.78,;-2.67,3.47,;-2.67,1.93,;-1.33,1.16,;,1.93,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-4,1.16,;-5.33,1.93,;-2.67,-2.69,;-4,-3.47,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;1.33,-5,;2.67,-2.69,;4,-3.46,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;4,-.38,;2.67,-1.15,;4,1.15,;2.67,1.93,;1.33,1.15,;2.67,3.47,;4,4.23,;4,5.78,;5.33,3.47,;5.33,1.93,;6.67,1.15,)| Show InChI InChI=1S/C26H27F3N6O3/c1-13-8-16(28)22(17(29)9-13)24-15(27)4-5-19(32-24)25(36)33-20-10-31-7-6-21(20)35-11-14(2)23(18(30)12-35)34-26(37)38-3/h4-10,14,18,23H,11-12,30H2,1-3H3,(H,33,36)(H,34,37)/t14-,18+,23-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151888
(US8987457, 82)Show SMILES CO[C@H]1[C@@H](C)C[C@H](C[C@H]1N)c1ccncc1NC(=O)c1nc(sc1N)-c1c(F)cccc1F |r| Show InChI InChI=1S/C23H25F2N5O2S/c1-11-8-12(9-16(26)20(11)32-2)13-6-7-28-10-17(13)29-22(31)19-21(27)33-23(30-19)18-14(24)4-3-5-15(18)25/h3-7,10-12,16,20H,8-9,26-27H2,1-2H3,(H,29,31)/t11-,12+,16+,20-/m0/s1 | PDB
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Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151891
(US8987457, 85)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1OCCC#N)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:3.13,5.5,1.0,7.8,(-.67,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.93,;-4.67,-1.15,;-4.67,.39,;-6,1.16,;-3.33,1.15,;-3.33,2.69,;-2,3.47,;-2,5,;-.67,5.78,;.67,6.54,;-3.33,-3.47,;-4.67,-4.23,;-4.67,-5.78,;-3.33,-6.54,;-2,-5.78,;-2,-4.23,;-.67,-3.47,;.67,-4.23,;.67,-5.78,;2,-3.47,;3.33,-4.23,;4.67,-3.47,;4.67,-1.93,;6,-1.15,;3.33,-1.15,;2,-1.93,;3.33,.38,;2,1.15,;.67,.38,;2,2.69,;3.33,3.47,;4.67,2.69,;4.67,1.15,;6,.38,)| Show InChI InChI=1S/C27H26F3N5O2/c1-15-12-16(13-21(32)26(15)37-11-3-9-31)17-8-10-33-14-23(17)35-27(36)22-7-6-20(30)25(34-22)24-18(28)4-2-5-19(24)29/h2,4-8,10,14-16,21,26H,3,11-13,32H2,1H3,(H,35,36)/t15-,16+,21+,26-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151893
(US8987457, 87)Show SMILES C[C@H]1CN(C[C@@H](N)[C@H]1N=[N+]=[N-])c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:5.5,1.0,7.8,(-.67,2.31,;-2,1.54,;-2,,;-3.33,-.77,;-4.67,,;-4.67,1.54,;-6,2.31,;-3.33,2.31,;-3.33,3.85,;-2,4.62,;-.67,5.39,;-3.33,-2.31,;-4.67,-3.08,;-4.67,-4.62,;-3.33,-5.39,;-2,-4.62,;-2,-3.08,;-.67,-2.31,;.67,-3.08,;.67,-4.62,;2,-2.31,;3.33,-3.08,;4.67,-2.31,;4.67,-.77,;6,,;3.33,,;2,-.77,;3.33,1.54,;2,2.31,;.67,1.54,;2,3.85,;3.33,4.62,;4.67,3.85,;4.67,2.31,;6,1.54,)| Show InChI InChI=1S/C23H21F3N8O/c1-12-10-34(11-16(27)21(12)32-33-28)19-7-8-29-9-18(19)31-23(35)17-6-5-15(26)22(30-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,21H,10-11,27H2,1H3,(H,31,35)/t12-,16+,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM151987
(US8987457, 181)Show SMILES C[C@H]1C[C@H](C[C@@H](N)[C@H]1n1ccnn1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cc(C)cc1F |r,wU:3.14,1.0,5.5,7.8,(-.67,1.9,;-2,1.13,;-2,-.41,;-3.33,-1.18,;-4.67,-.41,;-4.67,1.13,;-6,1.9,;-3.33,1.9,;-3.33,3.44,;-4.58,4.34,;-4.1,5.8,;-2.56,5.8,;-2.09,4.34,;-3.33,-2.72,;-4.67,-3.49,;-4.67,-5.03,;-3.33,-5.8,;-2,-5.03,;-2,-3.49,;-.67,-2.72,;.67,-3.49,;.67,-5.03,;2,-2.72,;3.33,-3.49,;4.67,-2.72,;4.67,-1.18,;6,-.41,;3.33,-.41,;2,-1.18,;3.33,1.13,;2,1.9,;.67,1.13,;2,3.44,;3.33,4.21,;3.33,5.75,;4.67,3.44,;4.67,1.9,;6,1.13,)| Show InChI InChI=1S/C27H26F3N7O/c1-14-9-19(29)24(20(30)10-14)25-18(28)3-4-22(34-25)27(38)35-23-13-32-6-5-17(23)16-11-15(2)26(21(31)12-16)37-8-7-33-36-37/h3-10,13,15-16,21,26H,11-12,31H2,1-2H3,(H,35,38)/t15-,16+,21+,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The ... |
US Patent US8987457 (2015)
BindingDB Entry DOI: 10.7270/Q2765D2M |
More data for this
Ligand-Target Pair | |
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