Found 493 hits with Last Name = 'lebrun' and Initial = 'l' 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 |
|---|
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human)) | BDBM50571877
(CHEMBL4878272)Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22 |
More data for this
Ligand-Target Pair | |
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human)) | BDBM50571875
(CHEMBL4847486)Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@H](N)CCC(N)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-(D)-Q as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22 |
More data for this
Ligand-Target Pair | |
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human)) | BDBM50571878
(CHEMBL4855021)Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-AFKARKF as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22 |
More data for this
Ligand-Target Pair | |
Endoplasmic reticulum aminopeptidase 1
(Homo sapiens (Human)) | BDBM50571876
(CHEMBL4875911)Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-KARKF as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system usi... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length His-tagged JNK1 expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length His-tagged JNK2 expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 3
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.104 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST-tagged DYRK3 expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.107 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged JNK3 expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Testis-specific serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.217 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length His-tagged TSSK1 expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.261 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM251460
(US9452998, 9)Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Leukocyte tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 0.567 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged LTK cytoplasmic domain (450 to 864 residues) expressed in baculovirus expression system by Z'-LYTE assay |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512326
(CHEMBL4476012)Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CC[C@](C)(O)CC2)c2cc[nH]c2n1)C(=O)N(C)C |r,wU:16.18,wD:13.13,(11.64,-48.81,;12.97,-48.04,;12.97,-46.5,;11.64,-45.73,;11.63,-44.19,;12.97,-43.42,;14.3,-44.19,;14.29,-45.73,;15.62,-46.5,;16.96,-45.73,;16.96,-44.18,;18.29,-43.41,;18.28,-41.87,;16.95,-41.11,;16.95,-39.57,;15.62,-38.8,;14.28,-39.56,;13.52,-38.23,;12.74,-39.56,;14.29,-41.11,;15.62,-41.89,;19.62,-44.18,;21.09,-43.69,;22,-44.94,;21.1,-46.19,;19.63,-45.72,;18.29,-46.5,;10.3,-43.42,;10.3,-41.88,;8.97,-44.19,;7.63,-43.42,;8.97,-45.73,)| Show InChI InChI=1S/C23H29N5O4/c1-23(30)10-7-15(8-11-23)32-20-16-9-12-24-19(16)26-22(27-20)25-17-6-5-14(13-18(17)31-4)21(29)28(2)3/h5-6,9,12-13,15,30H,7-8,10-11H2,1-4H3,(H2,24,25,26,27)/t15-,23- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512322
(CHEMBL4450891)Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2cc[nH]c2n1)C(=O)N(C)C |r,wU:16.18,13.13,(33.21,-48.47,;34.54,-47.7,;34.54,-46.16,;33.2,-45.39,;33.2,-43.84,;34.54,-43.07,;35.87,-43.85,;35.86,-45.38,;37.19,-46.16,;38.53,-45.39,;38.53,-43.84,;39.86,-43.07,;39.85,-41.53,;38.52,-40.77,;37.19,-41.55,;35.85,-40.77,;35.85,-39.22,;35.08,-37.89,;34.31,-39.21,;37.19,-38.46,;38.52,-39.23,;41.19,-43.84,;42.66,-43.35,;43.57,-44.59,;42.67,-45.85,;41.2,-45.38,;39.86,-46.16,;31.87,-43.07,;31.87,-41.53,;30.53,-43.84,;29.2,-43.08,;30.53,-45.38,)| Show InChI InChI=1S/C23H29N5O4/c1-23(30)10-7-15(8-11-23)32-20-16-9-12-24-19(16)26-22(27-20)25-17-6-5-14(13-18(17)31-4)21(29)28(2)3/h5-6,9,12-13,15,30H,7-8,10-11H2,1-4H3,(H2,24,25,26,27)/t15-,23+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512318
(CHEMBL4546504)Show SMILES C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)| Show InChI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532292
(JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
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PC cid
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UniChem
| PDB
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 full length TTK (unknown origin) using MBP-derived peptide as substrate preincubated for 1 hr in dark followed by substrate addition an... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512323
(CHEMBL4558047)Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H29N5O4/c1-23(2)13-15(9-11-31-23)32-20-16-8-10-24-19(16)26-22(27-20)25-17-7-6-14(12-18(17)30-5)21(29)28(3)4/h6-8,10,12,15H,9,11,13H2,1-5H3,(H2,24,25,26,27)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582063
(CHEMBL5092826)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582067
(CHEMBL5093015)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| 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
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512321
(CHEMBL4472951)Show SMILES COc1cc(ccc1Nc1nc(OC2CCOCC2)c2cc[nH]c2n1)C(=O)N(C)C Show InChI InChI=1S/C21H25N5O4/c1-26(2)20(27)13-4-5-16(17(12-13)28-3)23-21-24-18-15(6-9-22-18)19(25-21)30-14-7-10-29-11-8-14/h4-6,9,12,14H,7-8,10-11H2,1-3H3,(H2,22,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578360
(CHEMBL4849353)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578357
(CHEMBL4856984)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Aminopeptidase N
(Homo sapiens (Human)) | BDBM50076744
(CHEMBL3416733)Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| | PDB
NCI pathway
Reactome pathway
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CHEMBL
MCE
PC cid
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PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512325
(CHEMBL4585148)Show SMILES COc1cc(ccc1Nc1nc(OC2CCCC2)c2cc[nH]c2n1)C(=O)N(C)C Show InChI InChI=1S/C21H25N5O3/c1-26(2)20(27)13-8-9-16(17(12-13)28-3)23-21-24-18-15(10-11-22-18)19(25-21)29-14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H2,22,23,24,25) | PDB
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| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512324
(CHEMBL4521278)Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C(=O)CO |r| Show InChI InChI=1S/C26H34N6O5/c1-26(2)15-18(7-13-36-26)37-24-19-6-8-27-23(19)29-25(30-24)28-20-5-4-17(14-21(20)35-3)31-9-11-32(12-10-31)22(34)16-33/h4-6,8,14,18,33H,7,9-13,15-16H2,1-3H3,(H2,27,28,29,30)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512316
(CHEMBL4530475)Show SMILES COc1cc(ccc1Nc1nc(OC2CCCCC2)c2cc[nH]c2n1)C(=O)N(C)C Show InChI InChI=1S/C22H27N5O3/c1-27(2)21(28)14-9-10-17(18(13-14)29-3)24-22-25-19-16(11-12-23-19)20(26-22)30-15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H2,23,24,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573043
(CHEMBL4849510)Show SMILES CC1(C)[C@@H](O)C[C@H]1Nc1nc(NCc2cncnc2OCC(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573038
(CHEMBL4853353)Show SMILES CC1(C)[C@@H](C[C@@H]1C(N)=O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM251460
(US9452998, 9)Show SMILES CC1(N)CCN(CC1)c1cccnc1NC(=O)c1nc(cnc1N)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
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 PKC-alpha (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582061
(CHEMBL5081270)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582065
(CHEMBL5075313)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582068
(CHEMBL5077668)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582069
(CHEMBL5073101)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578347
(CHEMBL4853125)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578358
(CHEMBL4878370)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578367
(CHEMBL4864618)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Protein kinase C theta type
(Homo sapiens (Human)) | BDBM50573042
(CHEMBL4854104)Show SMILES CC(C)(F)c1ncncc1CNc1ncc(C#N)c(N[C@@H]2C[C@H](O)C2(C)C)n1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00388
BindingDB Entry DOI: 10.7270/Q22J6GPS |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512317
(CHEMBL4569626)Show SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C27H36N6O4/c1-27(2)15-20(7-13-36-27)37-25-21-6-8-28-24(21)30-26(31-25)29-22-5-4-18(14-23(22)34-3)32-9-11-33(12-10-32)19-16-35-17-19/h4-6,8,14,19-20H,7,9-13,15-17H2,1-3H3,(H2,28,29,30,31)/t20-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582074
(CHEMBL5081668)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582064
(CHEMBL5091689)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCN(CC(=O)N(C)C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582066
(CHEMBL5084062)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582077
(CHEMBL5085753)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578365
(CHEMBL4853525)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578366
(CHEMBL4845965)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50512320
(CHEMBL4467041)Show SMILES COc1cc(ccc1Nc1nc(OC(C)C)c2cc[nH]c2n1)C(=O)N(C)C Show InChI InChI=1S/C19H23N5O3/c1-11(2)27-17-13-8-9-20-16(13)22-19(23-17)21-14-7-6-12(10-15(14)26-5)18(25)24(3)4/h6-11H,1-5H3,(H2,20,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 h... |
J Med Chem 62: 4401-4410 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01869
BindingDB Entry DOI: 10.7270/Q2KS6VVN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582070
(CHEMBL5085278)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
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