Found 49 hits with Last Name = 'howe' and Initial = 'n' 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 |
|---|
Androgen receptor
(Homo sapiens (Human)) | BDBM50432188
(CHEMBL2346976)Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of [3H]R1881 from full length androgen receptor in human LNCAP cells |
Bioorg Med Chem Lett 23: 1945-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50432188
(CHEMBL2346976)Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24| Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to rat androgen receptor ligand binding domain by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 1945-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201648
(CHEMBL3950903)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201651
(CHEMBL3896232)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H35FN6O3S/c1-6-38(36,37)25-15-21(7-8-23(25)34-11-9-32(4)10-12-34)30-27-29-16-22(28)26(31-27)33(5)24-14-20(17-35)18(2)13-19(24)3/h7-8,13-16,35H,6,9-12,17H2,1-5H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201654
(CHEMBL3964858)Show SMILES [H][C@]12CN(c3ccc(Nc4ncc(F)c(n4)N(C)c4cc(CO)c(C)cc4C)cc3S(=O)(=O)CC)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged recombinant human PAK1 (150-end residues) expressed in baculovirus expression system |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201649
(CHEMBL3914181)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H37FN6O3S/c1-4-43(41,42)30-19-26(12-13-28(30)38-16-14-37(3)15-17-38)35-32-34-20-27(33)31(36-32)39(21-24-8-6-5-7-9-24)29-18-25(22-40)11-10-23(29)2/h5-13,18-20,40H,4,14-17,21-22H2,1-3H3,(H,34,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201642
(CHEMBL3942173)Show SMILES CCN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(=O)(=O)CC)ncc1F Show InChI InChI=1S/C27H35FN6O3S/c1-5-34(24-15-20(18-35)8-7-19(24)3)26-22(28)17-29-27(31-26)30-21-9-10-23(25(16-21)38(36,37)6-2)33-13-11-32(4)12-14-33/h7-10,15-17,35H,5-6,11-14,18H2,1-4H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201655
(CHEMBL3924245)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50112347
(CHEMBL3609327 | FRAX597)Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201650
(CHEMBL3933198)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)cc(c1)N1CCOCC1 Show InChI InChI=1S/C26H32FN5O4S/c1-5-37(34,35)22-13-20(12-21(14-22)32-6-8-36-9-7-32)29-26-28-15-23(27)25(30-26)31(4)24-11-19(16-33)17(2)10-18(24)3/h10-15,33H,5-9,16H2,1-4H3,(H,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201644
(CHEMBL3910608)Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C25H30FN5O4S/c1-16-9-17(2)23(10-18(16)15-32)30(3)24-22(26)14-27-25(29-24)28-19-11-20(31-5-7-35-8-6-31)13-21(12-19)36(4,33)34/h9-14,32H,5-8,15H2,1-4H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Yes
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length recombinant human YES expressed in baculovirus expression system |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged recombinant human PAK2 (3-end residues) expressed in Escherichia coli |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of C-terminal 6His-tagged recombinant full length human PKCtheta expressed in fall armyworm Sf21 cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201653
(CHEMBL3962678)Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C25H31FN6O3S/c1-17-5-6-18(16-33)13-22(17)31(3)24-20(26)15-27-25(29-24)28-19-7-8-21(23(14-19)36(4,34)35)32-11-9-30(2)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201646
(CHEMBL3980696)Show SMILES CN(c1cc(CO)ccc1Cl)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C23H25ClFN5O4S/c1-29(21-9-15(14-31)3-4-19(21)24)22-20(25)13-26-23(28-22)27-16-10-17(30-5-7-34-8-6-30)12-18(11-16)35(2,32)33/h3-4,9-13,31H,5-8,14H2,1-2H3,(H,26,27,28) | PDB
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| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201647
(CHEMBL3961614)Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-17(15-31)10-22(16)29(2)23-21(25)14-26-24(28-23)27-18-11-19(30-6-8-34-9-7-30)13-20(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201652
(CHEMBL3891484)Show SMILES CN(c1ccc(C)c(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-19(10-17(16)15-31)29(2)23-22(25)14-26-24(28-23)27-18-11-20(30-6-8-34-9-7-30)13-21(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal his6-tagged recombinant full-length human LYN expressed in baculovirus infected Sf21 cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201643
(CHEMBL3935195)Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6His-tagged full length recombinant human LCK expressed in baculovirus expression system |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201640
(CHEMBL3892617)Show SMILES CN(c1cccc(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C23H26FN5O4S/c1-28(18-5-3-4-16(10-18)15-30)22-21(24)14-25-23(27-22)26-17-11-19(29-6-8-33-9-7-29)13-20(12-17)34(2,31)32/h3-5,10-14,30H,6-9,15H2,1-2H3,(H,25,26,27) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-Terminal His6-tagged full length recombinant human FYN expressed in baculovirus expression system |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50112347
(CHEMBL3609327 | FRAX597)Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged recombinant human Src (1 to 530 residues) expressed in baculovirus infected sf21 cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50340555
((4-methyl-3-(methyl(2-(3-(methylsulfonyl)-5-morpho...)Show SMILES CN(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C Show InChI InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201654
(CHEMBL3964858)Show SMILES [H][C@]12CN(c3ccc(Nc4ncc(F)c(n4)N(C)c4cc(CO)c(C)cc4C)cc3S(=O)(=O)CC)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201648
(CHEMBL3950903)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201645
(CHEMBL3969873)Show SMILES COCc1ccc(C)c(c1)N(C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C25H30FN5O4S/c1-17-5-6-18(16-34-3)11-23(17)30(2)24-22(26)15-27-25(29-24)28-19-12-20(31-7-9-35-10-8-31)14-21(13-19)36(4,32)33/h5-6,11-15H,7-10,16H2,1-4H3,(H,27,28,29) | PDB
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| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201651
(CHEMBL3896232)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H35FN6O3S/c1-6-38(36,37)25-15-21(7-8-23(25)34-11-9-32(4)10-12-34)30-27-29-16-22(28)26(31-27)33(5)24-14-20(17-35)18(2)13-19(24)3/h7-8,13-16,35H,6,9-12,17H2,1-5H3,(H,29,30,31) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201644
(CHEMBL3910608)Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C25H30FN5O4S/c1-16-9-17(2)23(10-18(16)15-32)30(3)24-22(26)14-27-25(29-24)28-19-11-20(31-5-7-35-8-6-31)13-21(12-19)36(4,33)34/h9-14,32H,5-8,15H2,1-4H3,(H,27,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201649
(CHEMBL3914181)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H37FN6O3S/c1-4-43(41,42)30-19-26(12-13-28(30)38-16-14-37(3)15-17-38)35-32-34-20-27(33)31(36-32)39(21-24-8-6-5-7-9-24)29-18-25(22-40)11-10-23(29)2/h5-13,18-20,40H,4,14-17,21-22H2,1-3H3,(H,34,35,36) | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201650
(CHEMBL3933198)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)cc(c1)N1CCOCC1 Show InChI InChI=1S/C26H32FN5O4S/c1-5-37(34,35)22-13-20(12-21(14-22)32-6-8-36-9-7-32)29-26-28-15-23(27)25(30-26)31(4)24-11-19(16-33)17(2)10-18(24)3/h10-15,33H,5-9,16H2,1-4H3,(H,28,29,30) | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201652
(CHEMBL3891484)Show SMILES CN(c1ccc(C)c(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-19(10-17(16)15-31)29(2)23-22(25)14-26-24(28-23)27-18-11-20(30-6-8-34-9-7-30)13-21(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28) | PDB
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| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201646
(CHEMBL3980696)Show SMILES CN(c1cc(CO)ccc1Cl)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C23H25ClFN5O4S/c1-29(21-9-15(14-31)3-4-19(21)24)22-20(25)13-26-23(28-22)27-16-10-17(30-5-7-34-8-6-30)12-18(11-16)35(2,32)33/h3-4,9-13,31H,5-8,14H2,1-2H3,(H,26,27,28) | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201655
(CHEMBL3924245)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30) | PDB
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| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201642
(CHEMBL3942173)Show SMILES CCN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(=O)(=O)CC)ncc1F Show InChI InChI=1S/C27H35FN6O3S/c1-5-34(24-15-20(18-35)8-7-19(24)3)26-22(28)17-29-27(31-26)30-21-9-10-23(25(16-21)38(36,37)6-2)33-13-11-32(4)12-14-33/h7-10,15-17,35H,5-6,11-14,18H2,1-4H3,(H,29,30,31) | PDB
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| Article
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| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201655
(CHEMBL3924245)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human OVCAR3 cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201653
(CHEMBL3962678)Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C25H31FN6O3S/c1-17-5-6-18(16-33)13-22(17)31(3)24-20(26)15-27-25(29-24)28-19-7-8-21(23(14-19)36(4,34)35)32-11-9-30(2)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201647
(CHEMBL3961614)Show SMILES CN(c1cc(CO)ccc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C24H28FN5O4S/c1-16-4-5-17(15-31)10-22(16)29(2)23-21(25)14-26-24(28-23)27-18-11-19(30-6-8-34-9-7-30)13-20(12-18)35(3,32)33/h4-5,10-14,31H,6-9,15H2,1-3H3,(H,26,27,28) | PDB
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| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201643
(CHEMBL3935195)Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1F Show InChI InChI=1S/C25H31FN6O/c1-17-13-18(2)23(14-19(17)16-33)31(4)24-22(26)15-27-25(29-24)28-20-5-7-21(8-6-20)32-11-9-30(3)10-12-32/h5-8,13-15,33H,9-12,16H2,1-4H3,(H,27,28,29) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50340555
((4-methyl-3-(methyl(2-(3-(methylsulfonyl)-5-morpho...)Show SMILES CN(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C Show InChI InChI=1S/C24H29N5O4S/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(29-8-10-33-11-9-29)15-21(14-19)34(3,31)32/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201645
(CHEMBL3969873)Show SMILES COCc1ccc(C)c(c1)N(C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C25H30FN5O4S/c1-17-5-6-18(16-34-3)11-23(17)30(2)24-22(26)15-27-25(29-24)28-19-12-20(31-7-9-35-10-8-31)14-21(13-19)36(4,32)33/h5-6,11-15H,7-10,16H2,1-4H3,(H,27,28,29) | PDB
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| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201640
(CHEMBL3892617)Show SMILES CN(c1cccc(CO)c1)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C23H26FN5O4S/c1-28(18-5-3-4-16(10-18)15-30)22-21(24)14-25-23(27-22)26-17-11-19(29-6-8-33-9-7-29)13-20(12-17)34(2,31)32/h3-5,10-14,30H,6-9,15H2,1-2H3,(H,25,26,27) | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PAK1 phosphorylation in human MCF10A cells |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 1
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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MCE
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| Article
PubMed
| n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human PAK1 (S149 to H545 residues) expressed in bacterial expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 2
(Homo sapiens (Human)) | BDBM50201641
(CHEMBL3923175)Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38) | PDB
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MCE
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| Article
PubMed
| n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to human PAK2 (P151 to R525 residues) expressed in bacterial expression system by KINOMEscan assay |
ACS Med Chem Lett 7: 1118-1123 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00322
BindingDB Entry DOI: 10.7270/Q2PV6NCH |
More data for this
Ligand-Target Pair | |
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