Found 320 hits with Last Name = 'middya' and Initial = 's' 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323728
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323728
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201717
(CHEMBL3907591)Show SMILES Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H15F2N5O/c21-14-7-12(8-15(28)17(14)22)18-16-19(23)24-9-25-20(16)27(26-18)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,28H,5-6H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201728
(CHEMBL3914552)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201716
(CHEMBL3942550)Show SMILES Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201720
(CHEMBL3896635)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16FN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388180
(CHEMBL2057912)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 Show InChI InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201723
(CHEMBL3905578)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201727
(CHEMBL3924678)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201729
(CHEMBL3923573)Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201726
(CHEMBL3897842)Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201726
(CHEMBL3897842)Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201717
(CHEMBL3907591)Show SMILES Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H15F2N5O/c21-14-7-12(8-15(28)17(14)22)18-16-19(23)24-9-25-20(16)27(26-18)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,28H,5-6H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201724
(CHEMBL3983045)Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323728
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(2.13,-14.38,;2.12,-12.84,;3.46,-12.06,;3.45,-10.52,;2.1,-9.75,;.77,-10.55,;.79,-12.08,;-.54,-12.85,;-.54,-14.41,;.81,-15.18,;.81,-16.72,;-.43,-17.63,;.05,-19.1,;-.74,-20.41,;-2.27,-20.38,;-3.06,-21.69,;-4.6,-21.66,;-2.32,-23.04,;-.78,-23.06,;-.03,-24.4,;.01,-21.74,;1.59,-19.09,;2.62,-20.22,;2.15,-21.69,;4.12,-19.9,;4.59,-18.43,;3.56,-17.3,;2.07,-17.63,;-1.87,-15.18,;-3.21,-14.41,;-4.55,-15.19,;-5.88,-14.42,;-5.87,-12.87,;-4.55,-12.1,;-4.56,-10.56,;-3.21,-12.87,;-1.88,-12.1,;-1.89,-10.56,)| Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201729
(CHEMBL3923573)Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201725
(CHEMBL3948373)Show SMILES Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C22H19FN6O/c23-16-9-14(10-17-20(16)30-6-5-25-17)19-18-21(24)26-11-27-22(18)29(28-19)15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15,25H,5-8H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201719
(CHEMBL3957821)Show SMILES Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O/c1-12-6-7-15(10-17(12)27)19-18-20(22)23-11-24-21(18)26(25-19)16-8-13-4-2-3-5-14(13)9-16/h2-7,10-11,16,27H,8-9H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201726
(CHEMBL3897842)Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201726
(CHEMBL3897842)Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201718
(CHEMBL3925929)Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201718
(CHEMBL3925929)Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201716
(CHEMBL3942550)Show SMILES Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201720
(CHEMBL3896635)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16FN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201724
(CHEMBL3983045)Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201723
(CHEMBL3905578)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201725
(CHEMBL3948373)Show SMILES Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C22H19FN6O/c23-16-9-14(10-17-20(16)30-6-5-25-17)19-18-21(24)26-11-27-22(18)29(28-19)15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15,25H,5-8H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201728
(CHEMBL3914552)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201719
(CHEMBL3957821)Show SMILES Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O/c1-12-6-7-15(10-17(12)27)19-18-20(22)23-11-24-21(18)26(25-19)16-8-13-4-2-3-5-14(13)9-16/h2-7,10-11,16,27H,8-9H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201718
(CHEMBL3925929)Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201718
(CHEMBL3925929)Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387470
(N3-(3-Chloro-4- fluorophenyl)- 7-(2- methoxyphenyl...)Show SMILES COc1ccccc1-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12 Show InChI InChI=1S/C20H15ClFN3O2/c1-26-16-5-3-2-4-12(16)17-19-13(8-9-24-17)18(20(23)27-19)25-11-6-7-15(22)14(21)10-11/h2-10,25H,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387473
(N3-(3-Chloro-4- fluorophenyl)- 7-(3- chlorophenyl)...)Show SMILES Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H12Cl2FN3O/c20-11-3-1-2-10(8-11)16-18-13(6-7-24-16)17(19(23)26-18)25-12-4-5-15(22)14(21)9-12/h1-9,25H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387474
(N3-(3-Chloro-4- fluorophenyl)- 7-(4- methoxyphenyl...)Show SMILES COc1ccc(cc1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12 Show InChI InChI=1S/C20H15ClFN3O2/c1-26-13-5-2-11(3-6-13)17-19-14(8-9-24-17)18(20(23)27-19)25-12-4-7-16(22)15(21)10-12/h2-10,25H,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387478
(2-Amino-3-((3- chloro-4- fluorophenyl) amino)furo ...)Show InChI InChI=1S/C14H8ClFN4O/c15-9-5-7(1-2-10(9)16)20-12-8-3-4-19-11(6-17)13(8)21-14(12)18/h1-5,20H,18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387483
(N3-(3-Chloro-4- fluorophenyl)- 7-cyclohexyl- furo[...)Show InChI InChI=1S/C19H19ClFN3O/c20-14-10-12(6-7-15(14)21)24-17-13-8-9-23-16(18(13)25-19(17)22)11-4-2-1-3-5-11/h6-11,24H,1-5,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387485
(N3-(3-Ethynyl- 4- fluorophenyl)- 7- phenylfuro[2,3...)Show InChI InChI=1S/C21H14FN3O/c1-2-13-12-15(8-9-17(13)22)25-19-16-10-11-24-18(20(16)26-21(19)23)14-6-4-3-5-7-14/h1,3-12,25H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387486
(N3-(3-Ethynyl- 4- fluorophenyl)- 7-(pyridin-4- yl)...)Show InChI InChI=1S/C20H13FN4O/c1-2-12-11-14(3-4-16(12)21)25-18-15-7-10-24-17(19(15)26-20(18)22)13-5-8-23-9-6-13/h1,3-11,25H,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387487
(2-Amino-3-((3- chloro-4- fluorophenyl) amino)benzo...)Show InChI InChI=1S/C15H9ClFN3O/c16-11-6-9(2-4-12(11)17)20-14-10-3-1-8(7-18)5-13(10)21-15(14)19/h1-6,20H,19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387488
(2-Amino-3-((3- (trifluoro- methyl)phenyl) amino) b...)Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)10-2-1-3-11(7-10)22-14-12-5-4-9(8-20)6-13(12)23-15(14)21/h1-7,22H,21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387490
(2-Amino-3-((3- bromophenyl) amino) benzofuran-6- c...)Show InChI InChI=1S/C15H10BrN3O/c16-10-2-1-3-11(7-10)19-14-12-5-4-9(8-17)6-13(12)20-15(14)18/h1-7,19H,18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387492
(N3-(3-Chloro-4- fluorophenyl) benzo[b] thiophene-2...)Show InChI InChI=1S/C14H10ClFN2S/c15-10-7-8(5-6-11(10)16)18-13-9-3-1-2-4-12(9)19-14(13)17/h1-7,18H,17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387497
(N3-(3- (Trifluoro- methyl)phenyl) benzo[b] thiophe...)Show InChI InChI=1S/C15H11F3N2S/c16-15(17,18)9-4-3-5-10(8-9)20-13-11-6-1-2-7-12(11)21-14(13)19/h1-8,20H,19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387498
(N3-(3- Fluorophenyl) benzo[b] thiophene-2,3- diami...)Show InChI InChI=1S/C14H11FN2S/c15-9-4-3-5-10(8-9)17-13-11-6-1-2-7-12(11)18-14(13)16/h1-8,17H,16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387504
(5-Bromo-N3-(3- chloro-4- fluorophenyl) benzo[b] th...)Show InChI InChI=1S/C14H9BrClFN2S/c15-7-1-4-12-9(5-7)13(14(18)20-12)19-8-2-3-11(17)10(16)6-8/h1-6,19H,18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387505
(N3-(4-Chloro-3- (trifluoro- methyl)phenyl) benzo[b...)Show InChI InChI=1S/C15H10ClF3N2S/c16-11-6-5-8(7-10(11)15(17,18)19)21-13-9-3-1-2-4-12(9)22-14(13)20/h1-7,21H,20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387515
(N3-(4-Fluoro- 3-(trifluoro- methyl)phenyl) benzo[b...)Show InChI InChI=1S/C15H10F4N2S/c16-11-6-5-8(7-10(11)15(17,18)19)21-13-9-3-1-2-4-12(9)22-14(13)20/h1-7,21H,20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM387553
(N3-(3- Chloro-4- fluorophenyl)- 7-(4- fluorophenyl...)Show SMILES Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H12ClF2N3O/c20-14-9-12(5-6-15(14)22)25-17-13-7-8-24-16(18(13)26-19(17)23)10-1-3-11(21)4-2-10/h1-9,25H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <200 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
| Assay Description
Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formyl... |
J Med Chem 52: 74-86 (2009)
BindingDB Entry DOI: 10.7270/Q24M96V5 |
More data for this
Ligand-Target Pair | |
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