Found 1425 hits with Last Name = 'cheung' and Initial = 'km' 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 Chk1
(Homo sapiens (Human)) | BDBM50555385
(CHEMBL4753307)Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555401
(CHEMBL4742233)Show SMILES Cc1cnc(s1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM328998
(1137478-52-4 | US11787792, Compound Y-158 | US9663...)Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307954
(4-((4-Chlorobenzyloxy)methyl)-1-(7H-pyrrolo[2,3-d]...)Show SMILES NC1(COCc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H22ClN5O/c20-15-3-1-14(2-4-15)11-26-12-19(21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237622
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555402
(CHEMBL4790962)Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555384
(CHEMBL4789854)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618556
(US20230287003, Example 11c)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r,THB:22:21:14:16.18.17| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM328993
(5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...)Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618578
(US20230287003, Example 12v)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4CCC3COC4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618557
(US20230287003, Example 12a)Show SMILES CN1CCN(CC1=O)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618554
(US20230287003, Example 11a)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4COCC3CC(O)C4)cc2c2NC(C3CC3)C(F)(F)COc2c1=O |w:28.32,THB:22:21:14:16.18.17| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618585
(US20230287003, Example 13c)Show SMILES CN(C)C(=O)C1CC2COCC(C1)N2c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r,THB:3:5:13:8.10.9| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618579
(US20230287003, Example 12w)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3C4CCC3CS(=O)(=O)C4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.86 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555409
(CHEMBL4754960)Show SMILES Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307955
(4-(2,4-Dichlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimid...)Show SMILES NC1(Cc2ccc(Cl)cc2Cl)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H19Cl2N5/c19-13-2-1-12(15(20)9-13)10-18(21)4-7-25(8-5-18)17-14-3-6-22-16(14)23-11-24-17/h1-3,6,9,11H,4-5,7-8,10,21H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human PC3M cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606290
(CHEMBL5205388 | US20230287003, Example 13d)Show SMILES C[C@H]1C[C@@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618583
(US20230287003, Example 13a)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCc4ncnc(O)c4C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.09 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA |
J Med Chem 54: 8328-42 (2011)
Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555405
(CHEMBL4784718)Show SMILES OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618588
(US20230287003, Example 13f)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCN(CCC#N)CC3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM329000
(1137478-46-6 | US11787792, Compound Y-153 | US9663...)Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307942
(4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyr...)Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)11-23-18(27)19(21)6-9-26(10-7-19)17-15-5-8-22-16(15)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKBbeta by radiometric filter binding assay |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM328996
(1137477-07-6 | US11787792, Compound Y-081 | US9663...)Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606281
(CHEMBL5203177 | US20230287003, Example 12q)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| | n/a | n/a | 2.24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606291
(CHEMBL5196650 | US20230287003, Example 13e)Show SMILES C[C@@H]1C[C@H](O)CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
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| | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618592
(US20230287003, Example 13j)Show SMILES Cn1c2ccc(Nc3nc(ncc3F)N3C4CCC3COC4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618584
(US20230287003, Example 13b)Show SMILES CN1C[C@H]2CC[C@H](N2c2ncc(Cl)c(Nc3ccc4n(C)c(=O)c5OCC(F)(F)[C@@H](Nc5c4c3)C3CC3)n2)C1=O |r,THB:8:7:2.1.38:4.5| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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| | n/a | n/a | 2.57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50597108
(CHEMBL5184251 | US20230287003, Example 1v)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| PDB
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618577
(US20230287003, Example 12u)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CC4CCC(C3)O4)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r,TLB:9:14:21:17.18| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555383
(CHEMBL4784549)Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50237622
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23) | PDB
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Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human PC3M cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50446451
(CHEMBL3109945)Show SMILES Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C Show InChI InChI=1S/C26H26ClN7O2/c1-26(2,3)36-25(35)34-21(18-12-30-33(5)14-18)9-17-11-29-24(10-22(17)34)31-20-7-6-16(8-19(20)27)23-13-28-15-32(23)4/h6-15H,1-5H3,(H,29,31) | PDB
MMDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT... |
J Med Chem 56: 10045-65 (2013)
Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618589
(US20230287003, Example 13g)Show SMILES CN1CC2(C1)CN(C2)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
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| | n/a | n/a | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM328997
(1137478-45-5 | US11787792, Compound Y-152 | US9663...)Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618574
(US20230287003, Example 12r)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCOCC3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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UniChem
| | n/a | n/a | 3.24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618575
(US20230287003, Example 12s)Show SMILES C[C@@H]1CN(CCO1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 3.39 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618576
(US20230287003, Example 12t)Show SMILES C[C@H]1CN(CCO1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
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| | n/a | n/a | 3.47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618591
(US20230287003, Example 13i)Show SMILES CN1CCN(CC1=O)c1ncc(F)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 3.55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618590
(US20230287003, Example 13h)Show SMILES CN1CC2CC(C1)N2c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1 |r,TLB:0:1:4:7| | PDB
UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 3.72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50359810
(CHEMBL1928701)Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12 Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA |
J Med Chem 54: 8328-42 (2011)
Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307956
(4-Amino-N-(2,4-dichlorobenzyl)-1-(7H-pyrrolo[2,3-d...)Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H20Cl2N6O/c20-13-2-1-12(15(21)9-13)10-24-18(28)19(22)4-7-27(8-5-19)17-14-3-6-23-16(14)25-11-26-17/h1-3,6,9,11H,4-5,7-8,10,22H2,(H,24,28)(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human PC3M cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50446432
(CHEMBL3109938)Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1 Show InChI InChI=1S/C30H36ClN7O3/c1-30(2,3)41-29(40)38-25(21-17-33-36(6)18-21)14-20-16-32-27(15-26(20)38)34-24-8-7-19(13-23(24)31)28(39)37-11-9-22(10-12-37)35(4)5/h7-8,13-18,22H,9-12H2,1-6H3,(H,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHT... |
J Med Chem 56: 10045-65 (2013)
Article DOI: 10.1021/jm401395s
BindingDB Entry DOI: 10.7270/Q2JM2C4W |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307957
(4-Amino-N-(4-chloro-2-fluorobenzyl)-1-(7H-pyrrolo[...)Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1F Show InChI InChI=1S/C19H20ClFN6O/c20-13-2-1-12(15(21)9-13)10-24-18(28)19(22)4-7-27(8-5-19)17-14-3-6-23-16(14)25-11-26-17/h1-3,6,9,11H,4-5,7-8,10,22H2,(H,24,28)(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKBbeta by radiometric filter binding assay |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307975
(4-Amino-N-(4-chlorobenzyl)-N-methyl-1-(7H-pyrrolo[...)Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C20H23ClN6O/c1-26(12-14-2-4-15(21)5-3-14)19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-13-25-18/h2-6,9,13H,7-8,10-12,22H2,1H3,(H,23,24,25) | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKB in human PC3M cells assessed as GSK3beta phosphorylation by ELISA |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM618494
(US20230287003, Example 1q)Show SMILES Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c2NC(C3CC3)C(F)(F)COc2c1=O |w:20.22| | PDB
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| PC cid
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| | n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
B-cell lymphoma 6 protein
(Homo sapiens) | BDBM50606282
(CHEMBL5204505 | US20230287003, Example 12p)Show SMILES Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)[C@@H](CO)C3)cc2c2N[C@@H](C3CC3)C(F)(F)COc2c1=O |r| | PDB
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| PC cid
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| | n/a | n/a | 4.57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RJ4PKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555404
(CHEMBL4797851)Show SMILES Cn1ncc2cc(ccc12)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50555392
(CHEMBL4760882) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.5b01938
BindingDB Entry DOI: 10.7270/Q2MG7T5V |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50307956
(4-Amino-N-(2,4-dichlorobenzyl)-1-(7H-pyrrolo[2,3-d...)Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H20Cl2N6O/c20-13-2-1-12(15(21)9-13)10-24-18(28)19(22)4-7-27(8-5-19)17-14-3-6-23-16(14)25-11-26-17/h1-3,6,9,11H,4-5,7-8,10,22H2,(H,24,28)(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of PKBbeta by radiometric filter binding assay |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j
BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this
Ligand-Target Pair | |
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