Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50001873 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 PAK 4
(Homo sapiens (Human)) | BDBM50252687
(CHEMBL4078441)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H18N4O3/c26-11-19(13-4-2-1-3-5-13)25-20(27)14-6-7-18-16(8-14)17(21(28)24-18)9-15-10-22-12-23-15/h1-10,12,19,26H,11H2,(H,22,23)(H,24,28)(H,25,27)/b17-9-/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM101536
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449511
(CHEMBL4164650)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3Cl)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21ClN4O3/c28-20-9-5-4-8-18(20)23(25-29-12-13-30-25)24-19-14-17(10-11-21(19)31-27(24)35)26(34)32-22(15-33)16-6-2-1-3-7-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449507
(CHEMBL4172279)Show SMILES COc1ccc(cc1)C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ncc[nH]1 |r| Show InChI InChI=1S/C28H24N4O4/c1-36-20-10-7-18(8-11-20)24(26-29-13-14-30-26)25-21-15-19(9-12-22(21)31-28(25)35)27(34)32-23(16-33)17-5-3-2-4-6-17/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449510
(CHEMBL4175282)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3F)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21FN4O3/c28-20-9-5-4-8-18(20)23(25-29-12-13-30-25)24-19-14-17(10-11-21(19)31-27(24)35)26(34)32-22(15-33)16-6-2-1-3-7-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449498
(CHEMBL4171839)Show SMILES Cc1ccccc1\C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)c1ncc[nH]1 |r| Show InChI InChI=1S/C28H24N4O3/c1-17-7-5-6-10-20(17)24(26-29-13-14-30-26)25-21-15-19(11-12-22(21)31-28(25)35)27(34)32-23(16-33)18-8-3-2-4-9-18/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449501
(CHEMBL4174013)Show SMILES CCc1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r| Show InChI InChI=1S/C23H22N4O3/c1-2-21-24-12-16(25-21)11-18-17-10-15(8-9-19(17)26-23(18)30)22(29)27-20(13-28)14-6-4-3-5-7-14/h3-12,20,28H,2,13H2,1H3,(H,24,25)(H,26,30)(H,27,29)/b18-11-/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449500
(CHEMBL4171374)Show SMILES Cc1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r| Show InChI InChI=1S/C22H20N4O3/c1-13-23-11-16(24-13)10-18-17-9-15(7-8-19(17)25-22(18)29)21(28)26-20(12-27)14-5-3-2-4-6-14/h2-11,20,27H,12H2,1H3,(H,23,24)(H,25,29)(H,26,28)/b18-10-/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449509
(CHEMBL4168084)Show SMILES COc1cccc(c1)C(=C1\C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ncc[nH]1 |r| Show InChI InChI=1S/C28H24N4O4/c1-36-20-9-5-8-18(14-20)24(26-29-12-13-30-26)25-21-15-19(10-11-22(21)31-28(25)35)27(34)32-23(16-33)17-6-3-2-4-7-17/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449524
(CHEMBL4162970)Show SMILES Cc1nc([nH]c1C)C(=C1/C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ccccc1 |r| Show InChI InChI=1S/C29H26N4O3/c1-17-18(2)31-27(30-17)25(20-11-7-4-8-12-20)26-22-15-21(13-14-23(22)32-29(26)36)28(35)33-24(16-34)19-9-5-3-6-10-19/h3-15,24,34H,16H2,1-2H3,(H,30,31)(H,32,36)(H,33,35)/b26-25-/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449523
(CHEMBL4177047)Show SMILES Cc1c[nH]c(n1)C(=C1/C(=O)Nc2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1)\c1ccccc1 |r| Show InChI InChI=1S/C28H24N4O3/c1-17-15-29-26(30-17)24(19-10-6-3-7-11-19)25-21-14-20(12-13-22(21)31-28(25)35)27(34)32-23(16-33)18-8-4-2-5-9-18/h2-15,23,33H,16H2,1H3,(H,29,30)(H,31,35)(H,32,34)/b25-24-/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449502
(CHEMBL4166094)Show SMILES CC(C)c1ncc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)N[C@H](CO)c2ccccc2)[nH]1 |r| Show InChI InChI=1S/C24H24N4O3/c1-14(2)22-25-12-17(26-22)11-19-18-10-16(8-9-20(18)27-24(19)31)23(30)28-21(13-29)15-6-4-3-5-7-15/h3-12,14,21,29H,13H2,1-2H3,(H,25,26)(H,27,31)(H,28,30)/b19-11-/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449525
(CHEMBL4173672)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3nc4ccccc4[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C31H24N4O3/c36-18-26(19-9-3-1-4-10-19)35-30(37)21-15-16-23-22(17-21)28(31(38)34-23)27(20-11-5-2-6-12-20)29-32-24-13-7-8-14-25(24)33-29/h1-17,26,36H,18H2,(H,32,33)(H,34,38)(H,35,37)/b28-27-/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449499
(CHEMBL4176335)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)cc3Cl)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20Cl2N4O3/c28-17-7-8-18(20(29)13-17)23(25-30-10-11-31-25)24-19-12-16(6-9-21(19)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449506
(CHEMBL4174632)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(cc3)C#N)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C28H21N5O3/c29-15-17-6-8-19(9-7-17)24(26-30-12-13-31-26)25-21-14-20(10-11-22(21)32-28(25)36)27(35)33-23(16-34)18-4-2-1-3-5-18/h1-14,23,34H,16H2,(H,30,31)(H,32,36)(H,33,35)/b25-24-/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449508
(CHEMBL4164394)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3cccc(F)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21FN4O3/c28-19-8-4-7-17(13-19)23(25-29-11-12-30-25)24-20-14-18(9-10-21(20)31-27(24)35)26(34)32-22(15-33)16-5-2-1-3-6-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 621 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449503
(CHEMBL4167423)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc([nH]3)-c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-24(17-7-3-1-4-8-17)31-26(33)19-11-12-23-21(13-19)22(27(34)30-23)14-20-15-28-25(29-20)18-9-5-2-6-10-18/h1-15,24,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b22-14-/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 689 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449512
(CHEMBL4161228)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3F)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20F2N4O3/c28-17-7-8-18(20(29)13-17)23(25-30-10-11-31-25)24-19-12-16(6-9-21(19)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 706 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449497
(CHEMBL4160165)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3cccc(Cl)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21ClN4O3/c28-19-8-4-7-17(13-19)23(25-29-11-12-30-25)24-20-14-18(9-10-21(20)31-27(24)35)26(34)32-22(15-33)16-5-2-1-3-6-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 min... |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449522
(CHEMBL4166424)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)c(F)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20ClFN4O3/c28-19-8-6-16(13-20(19)29)23(25-30-10-11-31-25)24-18-12-17(7-9-21(18)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449496
(CHEMBL4163978)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21ClN4O3/c28-19-9-6-17(7-10-19)23(25-29-12-13-30-25)24-20-14-18(8-11-21(20)31-27(24)35)26(34)32-22(15-33)16-4-2-1-3-5-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449515
(CHEMBL4172949)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)c(Cl)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20ClFN4O3/c28-19-13-16(6-8-20(19)29)23(25-30-10-11-31-25)24-18-12-17(7-9-21(18)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449505
(CHEMBL4171192)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)cc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21FN4O3/c28-19-9-6-17(7-10-19)23(25-29-12-13-30-25)24-20-14-18(8-11-21(20)31-27(24)35)26(34)32-22(15-33)16-4-2-1-3-5-16/h1-14,22,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449513
(CHEMBL4168478)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(F)c(F)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20F2N4O3/c28-19-8-6-16(13-20(19)29)23(25-30-10-11-31-25)24-18-12-17(7-9-21(18)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449514
(CHEMBL4165054)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccc(Cl)c(Cl)c3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H20Cl2N4O3/c28-19-8-6-16(13-20(19)29)23(25-30-10-11-31-25)24-18-12-17(7-9-21(18)32-27(24)36)26(35)33-22(14-34)15-4-2-1-3-5-15/h1-13,22,34H,14H2,(H,30,31)(H,32,36)(H,33,35)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PAK 4
(Homo sapiens (Human)) | BDBM50449504
(CHEMBL4159518)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C/c3cnc([nH]3)-c3ccccc3Cl)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H21ClN4O3/c28-22-9-5-4-8-19(22)25-29-14-18(30-25)13-21-20-12-17(10-11-23(20)31-27(21)35)26(34)32-24(15-33)16-6-2-1-3-7-16/h1-14,24,33H,15H2,(H,29,30)(H,31,35)(H,32,34)/b21-13-/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi... |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi... |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 1... |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50449495
(CHEMBL4160587)Show SMILES OC[C@@H](NC(=O)c1ccc2NC(=O)\C(=C(/c3ncc[nH]3)c3ccccc3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C27H22N4O3/c32-16-22(17-7-3-1-4-8-17)31-26(33)19-11-12-21-20(15-19)24(27(34)30-21)23(25-28-13-14-29-25)18-9-5-2-6-10-18/h1-15,22,32H,16H2,(H,28,29)(H,30,34)(H,31,33)/b24-23-/t22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after... |
Eur J Med Chem 155: 197-209 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.051
BindingDB Entry DOI: 10.7270/Q2KD21GG |
More data for this
Ligand-Target Pair | |
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