Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50042507 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 |
|---|
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50421257
(CHEMBL2087875)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32) | PDB
MMDB
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50245853
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12 Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36) | PDB
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
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| PC cid
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98295
(US8481733, 107)Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:19.20,21.24,wD:21.23,(-3.88,4.74,;-2.34,4.74,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C25H24N4O3/c1-25(31)13-17(14-25)24-28-20(21-23(26)27-10-11-29(21)24)16-8-9-18(19(12-16)32-2)22(30)15-6-4-3-5-7-15/h3-12,17,31H,13-14H2,1-2H3,(H2,26,27)/t17-,25+ | PDB
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| PC cid
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98293
(US8481733, 105)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(F)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-2.34,4.74,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
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| PC cid
PC sid
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| Article
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98282
(US8481733, 94)Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+ | PDB
MMDB
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| PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98208
(US8481733, 20)Show SMILES COc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-16(10-11-18(19)29-17-8-3-2-4-9-17)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25) | PDB
MMDB
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antibodypedia
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| PC cid
PC sid
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| Article
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98296
(US8481733, 108)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)| Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+ | PDB
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| PC cid
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98283
(US8481733, 95)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Cc3ccccc3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H24N4O/c1-24(29)14-19(15-24)23-27-20(21-22(25)26-11-12-28(21)23)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,19,29H,13-15H2,1H3,(H2,25,26)/t19-,24+ | PDB
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| PC cid
PC sid
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Similars
| Article
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98260
(US8481733, 72)Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O2/c1-28-19-14-17(29-16-8-3-2-4-9-16)10-11-18(19)20-21-22(24)25-12-13-27(21)23(26-20)15-6-5-7-15/h2-4,8-15H,5-7H2,1H3,(H2,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98294
(US8481733, 106)Show SMILES CC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(.63,7.08,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;.23,4.05,;1.32,2.96,;.92,1.48,;-.56,1.08,;-1.65,2.17,;-1.25,3.65,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C25H26N4O2/c1-24(30)14-17(15-24)23-28-20(21-22(26)27-12-13-29(21)23)16-8-10-19(11-9-16)25(2,31)18-6-4-3-5-7-18/h3-13,17,30-31H,14-15H2,1-2H3,(H2,26,27)/t17-,24+,25? | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98226
(US8481733, 38)Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C23H20N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18H,4,7-8H2,(H2,24,25) | PDB
MMDB
KEGG
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98297
(US8481733, 109)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2F)C(=O)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.82,-7.95,;1.49,-7.18,;.72,-8.52,;2.26,-5.85,;.92,-5.08,;.15,-6.41,;.53,-3.59,;1.43,-2.35,;.53,-1.1,;.92,.39,;-.17,1.48,;.23,2.96,;1.72,3.36,;2.81,2.27,;2.41,.79,;3.5,-.3,;2.12,4.85,;3.61,5.25,;1.03,5.94,;1.43,7.43,;.34,8.52,;-1.15,8.12,;-1.55,6.63,;-.46,5.54,;-.94,-1.58,;-2.27,-.81,;-2.27,.73,;-3.61,-1.58,;-3.61,-3.12,;-2.27,-3.89,;-.94,-3.12,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)17-8-7-15(11-18(17)25)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98209
(US8481733, 21)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)c(F)c3)c12)C1CCC1 Show InChI InChI=1S/C22H19FN4O/c23-17-13-15(9-10-18(17)28-16-7-2-1-3-8-16)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6H2,(H2,24,25) | PDB
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| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98236
(US8481733, 48)Show SMILES CC(O)(c1ccccc1)c1ccc(cc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C24H24N4O/c1-24(29,18-8-3-2-4-9-18)19-12-10-16(11-13-19)20-21-22(25)26-14-15-28(21)23(27-20)17-6-5-7-17/h2-4,8-15,17,29H,5-7H2,1H3,(H2,25,26) | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98376
(US8481733, 188)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4F)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19FN4O/c23-17-6-1-2-7-18(17)28-16-10-8-14(9-11-16)19-20-21(24)25-12-13-27(20)22(26-19)15-4-3-5-15/h1-2,6-13,15H,3-5H2,(H2,24,25) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98370
(US8481733, 182)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19FN4O/c23-16-5-2-6-18(13-16)28-17-9-7-14(8-10-17)19-20-21(24)25-11-12-27(20)22(26-19)15-3-1-4-15/h2,5-13,15H,1,3-4H2,(H2,24,25) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98295
(US8481733, 107)Show SMILES COc1cc(ccc1C(=O)c1ccccc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:19.20,21.24,wD:21.23,(-3.88,4.74,;-2.34,4.74,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C25H24N4O3/c1-25(31)13-17(14-25)24-28-20(21-23(26)27-10-11-29(21)24)16-8-9-18(19(12-16)32-2)22(30)15-6-4-3-5-7-15/h3-12,17,31H,13-14H2,1-2H3,(H2,26,27)/t17-,25+ | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98282
(US8481733, 94)Show SMILES COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C24H24N4O3/c1-24(29)13-15(14-24)23-27-20(21-22(25)26-10-11-28(21)23)18-9-8-17(12-19(18)30-2)31-16-6-4-3-5-7-16/h3-12,15,29H,13-14H2,1-2H3,(H2,25,26)/t15-,24+ | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98296
(US8481733, 108)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)c(F)c2F)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(2.48,-7.95,;1.14,-7.18,;.37,-8.52,;1.91,-5.85,;.58,-5.08,;-.19,-6.41,;.18,-3.59,;1.09,-2.35,;.18,-1.1,;.58,.39,;-.51,1.48,;-.11,2.96,;1.38,3.36,;1.77,4.85,;.69,5.94,;1.08,7.43,;-.01,8.52,;-1.49,8.12,;-1.89,6.63,;-.8,5.54,;2.46,2.27,;3.95,2.67,;2.07,.79,;3.15,-.3,;-1.28,-1.58,;-2.62,-.81,;-2.62,.73,;-3.95,-1.58,;-3.95,-3.12,;-2.62,-3.89,;-1.28,-3.12,)| Show InChI InChI=1S/C23H20F2N4O2/c1-23(30)11-13(12-23)22-28-19(20-21(26)27-9-10-29(20)22)15-7-8-16(18(25)17(15)24)31-14-5-3-2-4-6-14/h2-10,13,30H,11-12H2,1H3,(H2,26,27)/t13-,23+ | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98293
(US8481733, 105)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(C(=O)c3ccccc3)c(F)c2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-2.34,4.74,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H21FN4O2/c1-24(31)12-16(13-24)23-28-19(20-22(26)27-9-10-29(20)23)15-7-8-17(18(25)11-15)21(30)14-5-3-2-4-6-14/h2-11,16,31H,12-13H2,1H3,(H2,26,27)/t16-,24+ | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98277
(US8481733, 89)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(-2.15,-6.23,;-1.38,-4.9,;-.05,-5.67,;-.61,-3.56,;-1.94,-2.79,;-2.71,-4.13,;-2.34,-1.31,;-1.44,-.06,;-2.34,1.19,;-1.25,2.27,;.23,1.88,;1.32,2.96,;.92,4.45,;2.01,5.54,;3.5,5.14,;3.9,3.65,;5.39,3.26,;6.48,4.35,;6.08,5.83,;4.59,6.23,;-.56,4.85,;-1.65,3.76,;-3.81,.71,;-5.14,1.48,;-5.14,3.02,;-6.48,.71,;-6.48,-.83,;-5.14,-1.6,;-3.81,-.83,)| Show InChI InChI=1S/C23H22N4O2/c1-23(28)13-16(14-23)22-26-19(20-21(24)25-11-12-27(20)22)15-7-9-18(10-8-15)29-17-5-3-2-4-6-17/h2-12,16,28H,13-14H2,1H3,(H2,24,25)/t16-,23+ | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98306
(US8481733, 118)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;-1.25,3.65,;-1.65,2.17,;.63,5.54,;.63,7.08,;-.91,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)/t16-,23+ | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50199622
(3-cyclobutyl-1-(4-phenoxyphenyl)imidazo[1,5-a]pyra...)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H20N4O/c23-21-20-19(25-22(16-5-4-6-16)26(20)14-13-24-21)15-9-11-18(12-10-15)27-17-7-2-1-3-8-17/h1-3,7-14,16H,4-6H2,(H2,23,24) | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98403
(US8481733, 215)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3F)c12)C1CCC1 Show InChI InChI=1S/C22H19FN4O/c23-18-13-16(28-15-7-2-1-3-8-15)9-10-17(18)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6H2,(H2,24,25) | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98294
(US8481733, 106)Show SMILES CC(O)(c1ccccc1)c1ccc(cc1)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(.63,7.08,;.63,5.54,;-.46,6.63,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;.23,4.05,;1.32,2.96,;.92,1.48,;-.56,1.08,;-1.65,2.17,;-1.25,3.65,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)| Show InChI InChI=1S/C25H26N4O2/c1-24(30)14-17(15-24)23-28-20(21-22(26)27-12-13-29(21)23)16-8-10-19(11-9-16)25(2,31)18-6-4-3-5-7-18/h3-13,17,30-31H,14-15H2,1-2H3,(H2,26,27)/t17-,24+,25? | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98283
(US8481733, 95)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Cc3ccccc3)cc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H24N4O/c1-24(29)14-19(15-24)23-27-20(21-22(25)26-11-12-28(21)23)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,19,29H,13-15H2,1H3,(H2,25,26)/t19-,24+ | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98369
(US8481733, 181)Show SMILES Cc1cccc(Oc2ccc(cc2)-c2nc(C3CCC3)n3ccnc(N)c23)c1 Show InChI InChI=1S/C23H22N4O/c1-15-4-2-7-19(14-15)28-18-10-8-16(9-11-18)20-21-22(24)25-12-13-27(21)23(26-20)17-5-3-6-17/h2,4,7-14,17H,3,5-6H2,1H3,(H2,24,25) | PDB
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| PC cid
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PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98368
(US8481733, 180)Show SMILES Cc1ccccc1Oc1ccc(cc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O/c1-15-5-2-3-8-19(15)28-18-11-9-16(10-12-18)20-21-22(24)25-13-14-27(21)23(26-20)17-6-4-7-17/h2-3,5,8-14,17H,4,6-7H2,1H3,(H2,24,25) | PDB
MMDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50426970
(CHEMBL2325953)Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(O)c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C23H22N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18,21,28H,4,7-8H2,(H2,24,25) | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98402
(US8481733, 214)Show SMILES Nc1nccn2c(nc(-c3ccc(Sc4ccccc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H20N4S/c23-21-20-19(25-22(16-5-4-6-16)26(20)14-13-24-21)15-9-11-18(12-10-15)27-17-7-2-1-3-8-17/h1-3,7-14,16H,4-6H2,(H2,23,24) | PDB
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| PC cid
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| Article
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98218
(US8481733, 30)Show SMILES Cc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O/c1-15-14-18(28-17-8-3-2-4-9-17)10-11-19(15)20-21-22(24)25-12-13-27(21)23(26-20)16-6-5-7-16/h2-4,8-14,16H,5-7H2,1H3,(H2,24,25) | PDB
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| PC cid
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| Article
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98231
(US8481733, 43)Show SMILES Nc1nccn2c(nc(-c3ccc(Nc4ccccc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H21N5/c23-21-20-19(26-22(16-5-4-6-16)27(20)14-13-24-21)15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-3,7-14,16,25H,4-6H2,(H2,23,24) | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98306
(US8481733, 118)Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(cc2)C(F)(F)c2ccccc2)c2c(N)nccn12 |r,wU:4.6,1.1,wD:1.0,(1.33,-7.26,;-0,-6.49,;-.77,-7.83,;.77,-5.16,;-.56,-4.39,;-1.33,-5.72,;-.96,-2.9,;-.06,-1.65,;-.96,-.41,;-.56,1.08,;.92,1.48,;1.32,2.96,;.23,4.05,;-1.25,3.65,;-1.65,2.17,;.63,5.54,;.63,7.08,;-.91,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-2.43,-.88,;-3.76,-.11,;-3.76,1.43,;-5.09,-.88,;-5.09,-2.42,;-3.76,-3.19,;-2.43,-2.42,)| Show InChI InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)/t16-,23+ | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98214
(US8481733, 26)Show SMILES CCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C24H24N4O2/c1-2-29-20-15-18(30-17-9-4-3-5-10-17)11-12-19(20)21-22-23(25)26-13-14-28(22)24(27-21)16-7-6-8-16/h3-5,9-16H,2,6-8H2,1H3,(H2,25,26) | PDB
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| PC cid
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98230
(US8481733, 42)Show SMILES Nc1nccn2c(nc(-c3ccc(Cc4ccccc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C23H22N4/c24-22-21-20(26-23(19-7-4-8-19)27(21)14-13-25-22)18-11-9-17(10-12-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-14,19H,4,7-8,15H2,(H2,24,25) | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204589
((S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)f...)Show SMILES C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 Show InChI InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1 | PDB
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MCE
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| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by cellular mechanistic assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98379
(US8481733, 191)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4Cl)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19ClN4O/c23-17-6-1-2-7-18(17)28-16-10-8-14(9-11-16)19-20-21(24)25-12-13-27(20)22(26-19)15-4-3-5-15/h1-2,6-13,15H,3-5H2,(H2,24,25) | PDB
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| PC cid
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98367
(US8481733, 179)Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc(C3CCC3)n3ccnc(N)c23)cc1 Show InChI InChI=1S/C23H22N4O/c1-15-5-9-18(10-6-15)28-19-11-7-16(8-12-19)20-21-22(24)25-13-14-27(21)23(26-20)17-3-2-4-17/h5-14,17H,2-4H2,1H3,(H2,24,25) | PDB
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| PC cid
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98213
(US8481733, 25)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3Cl)c12)C1CCC1 Show InChI InChI=1S/C22H19ClN4O/c23-18-13-16(28-15-7-2-1-3-8-15)9-10-17(18)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6H2,(H2,24,25) | PDB
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| PC cid
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Similars
| Article
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| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98216
(US8481733, 28)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)C1CCC1 Show InChI InChI=1S/C22H19ClN4O/c23-17-13-15(9-10-18(17)28-16-7-2-1-3-8-16)19-20-21(24)25-11-12-27(20)22(26-19)14-5-4-6-14/h1-3,7-14H,4-6H2,(H2,24,25) | PDB
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| PC cid
PC sid
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Similars
| Article
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| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98377
(US8481733, 189)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19ClN4O/c23-16-6-10-18(11-7-16)28-17-8-4-14(5-9-17)19-20-21(24)25-12-13-27(20)22(26-19)15-2-1-3-15/h4-13,15H,1-3H2,(H2,24,25) | PDB
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| PC cid
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Similars
| Article
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| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98275
(US8481733, 87)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccn4)cc3)c12)C1CCC1 Show InChI InChI=1S/C21H19N5O/c22-20-19-18(25-21(15-4-3-5-15)26(19)13-12-24-20)14-7-9-16(10-8-14)27-17-6-1-2-11-23-17/h1-2,6-13,15H,3-5H2,(H2,22,24) | PDB
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| PC cid
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Similars
| Article
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98363
(US8481733, 175)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4cccc(Cl)c4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19ClN4O/c23-16-5-2-6-18(13-16)28-17-9-7-14(8-10-17)19-20-21(24)25-11-12-27(20)22(26-19)15-3-1-4-15/h2,5-13,15H,1,3-4H2,(H2,24,25) | PDB
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| PC cid
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Similars
| Article
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| n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98273
(US8481733, 85)Show SMILES Nc1nccn2c(nc(-c3ccc4n(cnc4c3)-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C23H20N6/c24-22-21-20(27-23(15-5-4-6-15)28(21)12-11-25-22)16-9-10-19-18(13-16)26-14-29(19)17-7-2-1-3-8-17/h1-3,7-15H,4-6H2,(H2,24,25) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98453
(US8481733, 265)Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)-c3csc4ccccc34)c12)C1CCC1 Show InChI InChI=1S/C24H20N4S/c25-23-22-21(27-24(17-4-3-5-17)28(22)13-12-26-23)16-10-8-15(9-11-16)19-14-29-20-7-2-1-6-18(19)20/h1-2,6-14,17H,3-5H2,(H2,25,26) | PDB
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| PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98359
(US8481733, 171)Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)C1CCC1 Show InChI InChI=1S/C22H19FN4O/c23-16-6-10-18(11-7-16)28-17-8-4-14(5-9-17)19-20-21(24)25-12-13-27(20)22(26-19)15-2-1-3-15/h4-13,15H,1-3H2,(H2,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98219
(US8481733, 31)Show SMILES Cc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H22N4O/c1-15-14-17(10-11-19(15)28-18-8-3-2-4-9-18)20-21-22(24)25-12-13-27(21)23(26-20)16-6-5-7-16/h2-4,8-14,16H,5-7H2,1H3,(H2,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98528
(US8481733, 340)Show SMILES NC(=O)c1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C23H21N5O2/c24-21-20-19(27-23(14-5-4-6-14)28(20)12-11-26-21)15-9-10-18(17(13-15)22(25)29)30-16-7-2-1-3-8-16/h1-3,7-14H,4-6H2,(H2,24,26)(H2,25,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM98526
(US8481733, 338)Show SMILES CC(=O)Nc1cc(ccc1Oc1ccccc1)-c1nc(C2CCC2)n2ccnc(N)c12 Show InChI InChI=1S/C24H23N5O2/c1-15(30)27-19-14-17(10-11-20(19)31-18-8-3-2-4-9-18)21-22-23(25)26-12-13-29(22)24(28-21)16-6-5-7-16/h2-4,8-14,16H,5-7H2,1H3,(H2,25,26)(H,27,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 23: 979-84 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.042
BindingDB Entry DOI: 10.7270/Q2348MQT |
More data for this
Ligand-Target Pair | |
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