Found 143 hits with Last Name = 'mahajan' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50421256
(CHEMBL2087874)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50421256
(CHEMBL2087874)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559322
(CHEMBL4787382)Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559321
(CHEMBL4754291)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cccc(C)c1 |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 PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559323
(CHEMBL4794328)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559327
(CHEMBL4787659)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246164
(CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406408
(US10336734, Example 21)Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406408
(US10336734, Example 21)Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559341
(CHEMBL4783353)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ccc(F)c(C)n2c(=O)c1-c1ccccc1 |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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559325
(CHEMBL4756563)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559338
(CHEMBL4752055)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1 |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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559330
(CHEMBL4778687)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559324
(CHEMBL4782337)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559339
(CHEMBL4750109)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(C)cc(F)c1 |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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50084464
(CHEMBL3426891)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of human TYK2 using KKSRGDYMTMQIG peptide substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559319
(CHEMBL4791717)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559318
(CHEMBL4751779)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C2CC2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50084464
(CHEMBL3426891)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) peptide substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406407
(US10336734, Example 20)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559340
(CHEMBL4742973)Show SMILES C[C@H](Nc1nc(N)ncc1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406407
(US10336734, Example 20)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559316
(CHEMBL4750646)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(cc2)C(N)=O)c2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559333
(CHEMBL4755417)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |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 | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559325
(CHEMBL4756563)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559326
(CHEMBL4749877)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50559315
(CHEMBL4800682)Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(O)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kalpha in human MDA-MB-453 cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50512869
(CHEMBL4463183)Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C29H22F2N6O/c1-16-22(14-32)27(36-29(33)35-16)34-17(2)24-25(19-8-10-20(30)11-9-19)23-13-12-21(31)15-37(23)28(38)26(24)18-6-4-3-5-7-18/h3-13,15,17H,1-2H3,(H3,33,34,35,36)/t17-/m0/s1 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559317
(CHEMBL4749521)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559331
(CHEMBL4748330)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559329
(CHEMBL4795389)Show SMILES COc1ccc(cc1)-c1c([C@H](C)Nc2nc(N)nc(N)c2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12 |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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559335
(CHEMBL4792005)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cccc(F)c1 |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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50559325
(CHEMBL4756563)Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559334
(CHEMBL4749578)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246162
(CHEMBL472392 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12 Show InChI InChI=1S/C29H38N8O/c1-20-7-6-8-21(2)25(20)33-26-24-19-31-28(34-27(24)37(35-26)16-13-29(3,4)38-5)32-22-9-11-23(12-10-22)36-17-14-30-15-18-36/h6-12,19,30H,13-18H2,1-5H3,(H,33,35)(H,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50168472
(CHEMBL3805348 | US9765060, Compound X)Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50059637
(GSK-2636771 | GSK2636771 | US10660898, Example 31)Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM406408
(US10336734, Example 21)Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM406408
(US10336734, Example 21)Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50559336
(CHEMBL4748043)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1 |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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM406407
(US10336734, Example 20)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM406407
(US10336734, Example 20)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description
Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50084463
(CHEMBL3426880)Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(F)cccc3Cl)c(NCC3CCCO3)n2)cc1 Show InChI InChI=1S/C30H35ClFN7O3/c1-2-5-26(40)39-15-13-38(14-16-39)21-11-9-20(10-12-21)35-30-34-19-23(28(37-30)33-18-22-6-4-17-42-22)29(41)36-27-24(31)7-3-8-25(27)32/h3,7-12,19,22H,2,4-6,13-18H2,1H3,(H,36,41)(H2,33,34,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50559315
(CHEMBL4800682)Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(O)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Mus musculus (Mouse)) | BDBM50559327
(CHEMBL4787659)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV |
More data for this
Ligand-Target Pair | |
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