Found 1191 hits with Last Name = 'anderson' 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 |
|---|
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464108
(CHEMBL4241824)Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573157
(CHEMBL4850297)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573166
(CHEMBL4869783)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573177
(CHEMBL4167702)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573167
(CHEMBL4858875)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464104
(CHEMBL4244784)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H37N3O3/c32-27(33)16-25(23-4-1-3-22(15-23)24-11-14-34-19-24)18-31-13-10-20(17-31)6-8-26-9-7-21-5-2-12-29-28(21)30-26/h1,3-4,7,9,15,20,24-25H,2,5-6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,24?,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573181
(CHEMBL4165185)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573164
(CHEMBL4873390)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573182
(CHEMBL4175571)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464110
(CHEMBL4238909)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573180
(CHEMBL4175737)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464123
(CHEMBL4242263)Show SMILES Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C33H44N6O3/c1-23-16-24(2)39(36-23)31-18-27(17-30(20-31)38-12-14-42-15-13-38)28(19-32(40)41)22-37-11-9-25(21-37)5-7-29-8-6-26-4-3-10-34-33(26)35-29/h6,8,16-18,20,25,28H,3-5,7,9-15,19,21-22H2,1-2H3,(H,34,35)(H,40,41)/t25-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464124
(CHEMBL4249629)Show SMILES Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-19-28(32-20(2)31-19)24-6-3-5-23(15-24)25(16-27(35)36)18-34-14-12-21(17-34)8-10-26-11-9-22-7-4-13-30-29(22)33-26/h3,5-6,9,11,15,21,25H,4,7-8,10,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)(H,35,36)/t21-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464108
(CHEMBL4241824)Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464119
(CHEMBL4241584)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r| Show InChI InChI=1S/C26H32N6O2/c33-25(34)16-22(21-3-1-5-24(15-21)32-14-12-28-30-32)18-31-13-10-19(17-31)6-8-23-9-7-20-4-2-11-27-26(20)29-23/h1,3,5,7,9,12,14-15,19,22H,2,4,6,8,10-11,13,16-18H2,(H,27,29)(H,33,34)/t19-,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573175
(CHEMBL4169192)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464118
(CHEMBL4249172)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464120
(CHEMBL4237919)Show SMILES Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C27H34N6O2/c1-19-31-29-18-33(19)25-6-2-4-22(14-25)23(15-26(34)35)17-32-13-11-20(16-32)7-9-24-10-8-21-5-3-12-28-27(21)30-24/h2,4,6,8,10,14,18,20,23H,3,5,7,9,11-13,15-17H2,1H3,(H,28,30)(H,34,35)/t20-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573179
(CHEMBL4174874)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573176
(CHEMBL4173087)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464097
(CHEMBL4237868)Show SMILES Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H36N6O2/c1-19-30-20(2)34(32-19)26-7-3-5-23(15-26)24(16-27(35)36)18-33-14-12-21(17-33)8-10-25-11-9-22-6-4-13-29-28(22)31-25/h3,5,7,9,11,15,21,24H,4,6,8,10,12-14,16-18H2,1-2H3,(H,29,31)(H,35,36)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573178
(CHEMBL4170075)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464100
(CHEMBL4243367)Show SMILES Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-14-30-33(20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-15-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)31-25/h2,4,6,8,10-11,14,16,21,24H,3,5,7,9,12-13,15,17-19H2,1H3,(H,29,31)(H,34,35)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464113
(CHEMBL4239085)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464110
(CHEMBL4238909)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464112
(CHEMBL4248589)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r| Show InChI InChI=1S/C31H42N4O3/c36-30(37)19-27(26-16-25(23-4-5-23)17-29(18-26)35-12-14-38-15-13-35)21-34-11-9-22(20-34)3-7-28-8-6-24-2-1-10-32-31(24)33-28/h6,8,16-18,22-23,27H,1-5,7,9-15,19-21H2,(H,32,33)(H,36,37)/t22-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573170
(CHEMBL4855234)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464115
(CHEMBL4247149)Show SMILES Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-15-33(31-20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-14-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)30-25/h2,4,6,8,10-11,15-16,21,24H,3,5,7,9,12-14,17-19H2,1H3,(H,29,30)(H,34,35)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464098
(CHEMBL4242635)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C27H35N3O2/c31-26(32)16-24(23-4-1-3-22(15-23)20-7-8-20)18-30-14-12-19(17-30)6-10-25-11-9-21-5-2-13-28-27(21)29-25/h1,3-4,9,11,15,19-20,24H,2,5-8,10,12-14,16-18H2,(H,28,29)(H,31,32)/t19-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464102
(CHEMBL4251444)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H33N5O2/c33-26(34)17-23(22-4-1-6-25(16-22)32-14-3-13-29-32)19-31-15-11-20(18-31)7-9-24-10-8-21-5-2-12-28-27(21)30-24/h1,3-4,6,8,10,13-14,16,20,23H,2,5,7,9,11-12,15,17-19H2,(H,28,30)(H,33,34)/t20-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573159
(CHEMBL4867203)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464126
(CHEMBL3356154)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H19Cl2N5O4/c20-12-4-11(5-13(21)7-12)15(8-17(28)29)26-16(27)9-24-18(30)10-2-1-3-14(6-10)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573153
(CHEMBL4877995)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C1CC1CN(C)C)C1=CCOCC1 |t:28| | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytos... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50515378
(CHEMBL4443947)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)CCOCCOCCOCC#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC)c(cc12)C(N)=O |r| Show InChI InChI=1S/C53H70N8O11/c1-33(55-2)50(65)60-48(35-12-5-4-6-13-35)53(67)61-31-38(27-44(61)51(66)59-43-17-9-14-34-11-7-8-16-39(34)43)58-47(63)20-22-70-24-26-71-25-23-69-21-10-15-36-30-56-52(72-32-37-18-19-46(62)57-37)41-29-45(68-3)42(49(54)64)28-40(36)41/h7-8,11,16,28-30,33,35,37-38,43-44,48,55H,4-6,9,12-14,17-27,31-32H2,1-3H3,(H2,54,64)(H,57,62)(H,58,63)(H,59,66)(H,60,65)/t33-,37-,38-,43+,44-,48-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay |
ACS Med Chem Lett 10: 1081-1085 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50515375
(CHEMBL4448950)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r| Show InChI InChI=1S/C51H65N7O8S/c1-32-45(67-31-55-32)34-20-18-33(19-21-34)27-53-48(63)41-24-37(59)29-58(41)50(64)46(51(2,3)4)57-43(60)17-15-13-11-9-7-6-8-10-12-14-16-35-28-54-49(66-30-36-22-23-44(61)56-36)39-26-42(65-5)40(47(52)62)25-38(35)39/h18-21,25-26,28,31,36-37,41,46,59H,6-13,15,17,22-24,27,29-30H2,1-5H3,(H2,52,62)(H,53,63)(H,56,61)(H,57,60)/t36-,37+,41-,46+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0990 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay |
ACS Med Chem Lett 10: 1081-1085 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50515377
(CHEMBL4524299)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ncc(C#CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c2cc1C(N)=O |r| Show InChI InChI=1S/C48H59N7O11S/c1-29-42(67-28-52-29)31-10-8-30(9-11-31)24-50-45(60)38-21-34(56)26-55(38)47(61)43(48(2,3)4)54-41(58)14-16-64-18-20-65-19-17-63-15-6-7-32-25-51-46(66-27-33-12-13-40(57)53-33)36-23-39(62-5)37(44(49)59)22-35(32)36/h8-11,22-23,25,28,33-34,38,43,56H,12-21,24,26-27H2,1-5H3,(H2,49,59)(H,50,60)(H,53,57)(H,54,58)/t33-,34+,38-,43+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay |
ACS Med Chem Lett 10: 1081-1085 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00219
BindingDB Entry DOI: 10.7270/Q2RF5ZCB |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573157
(CHEMBL4850297)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573166
(CHEMBL4869783)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50513015
(CHEMBL4537171)Show InChI InChI=1S/C14H17FN2O/c1-14(2,3)13(18)17-12(7-8-16-17)10-5-4-6-11(15)9-10/h4-6,8-9,12H,7H2,1-3H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m... |
J Med Chem 62: 5096-5110 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00318
BindingDB Entry DOI: 10.7270/Q24J0JFT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573167
(CHEMBL4858875)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50513974
(CHEMBL4513624)Show SMILES OC(=O)C[C@H](Nc1ccc(OCCc2ccc3CCCNc3n2)nn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H24ClN5O3/c24-17-5-1-3-16(13-17)19(14-22(30)31)27-20-8-9-21(29-28-20)32-12-10-18-7-6-15-4-2-11-25-23(15)26-18/h1,3,5-9,13,19H,2,4,10-12,14H2,(H,25,26)(H,27,28)(H,30,31)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo... |
J Med Chem 62: 8796-8808 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00962
BindingDB Entry DOI: 10.7270/Q2WQ0752 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573182
(CHEMBL4175571)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573177
(CHEMBL4167702)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573181
(CHEMBL4165185)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464106
(CHEMBL4237498)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r| Show InChI InChI=1S/C27H35N3O4/c31-26(32)14-22(21-3-1-5-24(13-21)34-25-17-33-18-25)16-30-12-10-19(15-30)6-8-23-9-7-20-4-2-11-28-27(20)29-23/h1,3,5,7,9,13,19,22,25H,2,4,6,8,10-12,14-18H2,(H,28,29)(H,31,32)/t19-,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Antagonist activity at human integrin alphaVbeta6 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BC... |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Focal adhesion kinase 1
(Homo sapiens (Human)) | BDBM50193810
(CHEMBL3972653)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r| Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D
Curated by ChEMBL
| Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay |
J Med Chem 59: 7478-96 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50573180
(CHEMBL4175737)Show SMILES COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01102
BindingDB Entry DOI: 10.7270/Q2N87FKX |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50507336
(CHEMBL4514271)Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cc(ncn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m... |
J Med Chem 62: 5096-5110 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00318
BindingDB Entry DOI: 10.7270/Q24J0JFT |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464108
(CHEMBL4241824)Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description
Antagonist activity at human integrin alphaVbeta6 in lung tissue slices derived from IPF patient assessed as reduction in SMAD2 phosphorylation |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959
BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50513966
(CHEMBL4468875)Show SMILES OC(=O)CC(Nc1ncc(OCCc2ccc3CCCNc3n2)cn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O3/c24-17-6-3-15(4-7-17)20(12-21(30)31)29-23-26-13-19(14-27-23)32-11-9-18-8-5-16-2-1-10-25-22(16)28-18/h3-8,13-14,20H,1-2,9-12H2,(H,25,28)(H,30,31)(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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 |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins follo... |
J Med Chem 62: 8796-8808 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00962
BindingDB Entry DOI: 10.7270/Q2WQ0752 |
More data for this
Ligand-Target Pair | |
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