Found 79 hits with Last Name = 'tsukazaki' and Initial = 'm' 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 |
|---|
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100335
(CHEMBL2371681 | RO-09-3655 derivative)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCN)C(=O)[C@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C82H141N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-54-41-62(111)92-65(47(5)102)75(117)89-46(4)71(113)91-56(39-51-25-27-52(106)28-26-51)72(114)94-64(45(2)3)80(122)101-44-53(107)40-58(101)73(115)95-67(49(7)104)77(119)96-68(50(8)105)81(123)100-35-29-59(108)70(100)78(120)97-69(60(109)42-61(87)110)74(116)88-43-63(112)93-66(48(6)103)76(118)90-55(82(124)125-54)23-21-34-99(38-33-86)79(121)57(24-20-30-83)98(36-31-84)37-32-85/h25-28,45-50,53-60,64-70,102-109H,9-24,29-44,83-86H2,1-8H3,(H2,87,110)(H,88,116)(H,89,117)(H,90,118)(H,91,113)(H,92,111)(H,93,112)(H,94,114)(H,95,115)(H,96,119)(H,97,120)/t46-,47-,48-,49-,50-,53-,54-,55+,56+,57+,58+,59+,60-,64+,65+,66+,67+,68+,69+,70+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100338
(CHEMBL267407 | RO-09-3655 derivative)Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@@H](CCCN)N(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58-,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100332
(CHEMBL415843 | RO-09-3655 derivative)Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C83H143N19O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-55-42-63(112)93-66(48(5)103)76(118)90-47(4)72(114)92-57(40-52-26-28-53(107)29-27-52)73(115)95-65(46(2)3)81(123)102-45-54(108)41-59(102)74(116)96-68(50(7)105)78(120)97-69(51(8)106)82(124)101-37-30-60(109)71(101)79(121)98-70(61(110)43-62(88)111)75(117)89-44-64(113)94-67(49(6)104)77(119)91-56(83(125)126-55)24-21-35-100(36-22-32-85)80(122)58(25-20-31-84)99(38-33-86)39-34-87/h26-29,46-51,54-61,65-71,103-110H,9-25,30-45,84-87H2,1-8H3,(H2,88,111)(H,89,117)(H,90,118)(H,91,119)(H,92,114)(H,93,112)(H,94,113)(H,95,115)(H,96,116)(H,97,120)(H,98,121)/t47-,48-,49-,50-,51-,54-,55-,56+,57+,58+,59+,60+,61-,65+,66-,67-,68-,69+,70+,71+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100333
(CHEMBL2371765 | RO-09-3655 derivative)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(=O)[C@@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55-,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100331
(CHEMBL2371715 | RO-09-3655 derivative)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCCN)C(=O)[C@H](N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52-,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100329
(CHEMBL2371727 | RO-09-3655 derivative)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCN(CCCN)C(=O)[C@@H](N)CCCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C79H133N17O24/c1-9-10-11-12-13-14-15-16-17-18-19-23-51-38-59(106)88-62(44(5)97)72(112)85-43(4)68(108)87-54(36-48-26-28-49(101)29-27-48)69(109)90-61(42(2)3)77(117)96-41-50(102)37-55(96)70(110)91-64(46(7)99)74(114)92-65(47(8)100)78(118)95-35-30-56(103)67(95)75(115)93-66(57(104)39-58(83)105)71(111)84-40-60(107)89-63(45(6)98)73(113)86-53(79(119)120-51)25-21-33-94(34-22-32-81)76(116)52(82)24-20-31-80/h26-29,42-47,50-57,61-67,97-104H,9-25,30-41,80-82H2,1-8H3,(H2,83,105)(H,84,111)(H,85,112)(H,86,113)(H,87,108)(H,88,106)(H,89,107)(H,90,109)(H,91,110)(H,92,114)(H,93,115)/t43-,44-,45-,46-,47-,50-,51-,52+,53+,54+,55+,56+,57-,61+,62+,63+,64+,65+,66+,67+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100337
(CHEMBL2371766 | RO-09-3655 derivative)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](CCCNC(=O)[C@H](CCCN)N(CCN)CCN)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55+,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50366679
(CHEMBL1793852 | MK-991)Show SMILES CCC(C)CC(C)CCCCCCCCC(=O)N[C@@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](O)CCN Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)22-29(3)12-10-8-6-7-9-11-13-40(69)56-35-25-39(68)46(55-21-20-54)60-49(74)37-24-34(66)27-62(37)52(77)42(38(67)18-19-53)58-50(75)43(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)36-23-33(65)26-61(36)51(76)41(30(4)63)57-47(35)72/h14-17,28-30,33-39,41-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,75)(H,59,73)(H,60,74)/t28?,29?,30-,33-,34-,35-,36+,37+,38+,39-,41+,42+,43+,44+,45+,46+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100336
(CHEMBL405487 | RO-09-3655 derivative)Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCN)CCN)C(=O)O1 Show InChI InChI=1S/C75H126N16O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-49-36-56(101)83-59(42(5)92)69(107)80-41(4)65(103)82-51(34-46-23-25-47(96)26-24-46)66(104)85-58(40(2)3)73(111)91-39-48(97)35-52(91)67(105)86-61(44(7)94)71(109)87-62(45(8)95)74(112)90-31-27-53(98)64(90)72(110)88-63(54(99)37-55(78)100)68(106)79-38-57(102)84-60(43(6)93)70(108)81-50(75(113)114-49)22-20-30-89(32-28-76)33-29-77/h23-26,40-45,48-54,58-64,92-99H,9-22,27-39,76-77H2,1-8H3,(H2,78,100)(H,79,106)(H,80,107)(H,81,108)(H,82,103)(H,83,101)(H,84,102)(H,85,104)(H,86,105)(H,87,109)(H,88,110)/t41-,42-,43-,44-,45-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100334
(CHEMBL407924 | RO-09-3655 derivative)Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](N)CCCN)C(=O)O1 Show InChI InChI=1S/C76H126N16O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-48-35-56(102)85-59(41(5)93)70(109)82-40(4)65(104)84-51(33-45-25-27-46(97)28-26-45)67(106)87-58(39(2)3)74(113)92-38-47(98)34-52(92)68(107)88-61(43(7)95)72(111)89-62(44(8)96)75(114)91-32-29-53(99)64(91)73(112)90-63(54(100)36-55(79)101)69(108)81-37-57(103)86-60(42(6)94)71(110)83-50(76(115)116-48)24-21-31-80-66(105)49(78)23-20-30-77/h25-28,39-44,47-54,58-64,93-100H,9-24,29-38,77-78H2,1-8H3,(H2,79,101)(H,80,105)(H,81,108)(H,82,109)(H,83,110)(H,84,104)(H,85,102)(H,86,103)(H,87,106)(H,88,107)(H,89,111)(H,90,112)/t40-,41-,42-,43-,44-,47-,48-,49-,50+,51+,52+,53+,54-,58+,59-,60-,61-,62+,63+,64+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50175003
(CHEMBL3808812)Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosit... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100339
(CHEMBL438198 | FR-901469 | FR901469 | Lipopeptidol...)Show SMILES CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN)C(=O)O1 Show InChI InChI=1S/C71H116N14O23/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)78-55(38(5)86)65(101)75-37(4)61(97)77-47(30-42-23-25-43(90)26-24-42)62(98)80-54(36(2)3)69(105)85-35-44(91)31-48(85)63(99)81-57(40(7)88)67(103)82-58(41(8)89)70(106)84-29-27-49(92)60(84)68(104)83-59(50(93)33-51(73)94)64(100)74-34-53(96)79-56(39(6)87)66(102)76-46(22-20-28-72)71(107)108-45/h23-26,36-41,44-50,54-60,86-93H,9-22,27-35,72H2,1-8H3,(H2,73,94)(H,74,100)(H,75,101)(H,76,102)(H,77,97)(H,78,95)(H,79,96)(H,80,98)(H,81,99)(H,82,103)(H,83,104)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49+,50-,54+,55-,56-,57-,58+,59+,60+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338198
(3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-3-1-2-15(14-17)19-18-6-9-26(16-4-7-22-8-5-16)20(18)24-21(23-19)25-10-12-28-13-11-25/h1-5,7-8,14,27H,6,9-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338198
(3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-3-1-2-15(14-17)19-18-6-9-26(16-4-7-22-8-5-16)20(18)24-21(23-19)25-10-12-28-13-11-25/h1-5,7-8,14,27H,6,9-13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175020
(CHEMBL3810369)Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C19H13Cl2F3N2OS/c20-14-2-1-3-15(21)13(14)8-9-17-26-16(10-28-17)18(27)25-12-6-4-11(5-7-12)19(22,23)24/h1-7,10H,8-9H2,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50174998
(CHEMBL3808691)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)C(=O)Nc1ccccc1)N1CCOCC1 Show InChI InChI=1S/C21H22N8O2/c22-19-23-12-14(13-24-19)17-16-6-7-29(21(30)25-15-4-2-1-3-5-15)18(16)27-20(26-17)28-8-10-31-11-9-28/h1-5,12-13H,6-11H2,(H,25,30)(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499395
(CHEMBL3735840)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-32-8-10-33(11-9-32)24(36)18-2-4-20(5-3-18)35-7-6-21-22(19-16-28-25(27)29-17-19)30-26(31-23(21)35)34-12-14-37-15-13-34/h2-5,16-17H,6-15H2,1H3,(H2,27,28,29) | 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 |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50100330
(CHEMBL413199 | LY-303366 | LY-303366 derivative)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]1C[C@@H](O)[C@@H](O)NC(=O)C2[C@@H](OC)[C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O)OC Show InChI InChI=1S/C59H75N7O18/c1-6-7-8-25-84-40-23-19-35(20-24-40)33-11-9-32(10-12-33)34-13-15-37(16-14-34)52(74)60-41-27-43(71)55(77)64-57(79)48-51(83-5)44(82-4)29-66(48)59(81)46(31(3)68)62-56(78)47(50(73)49(72)36-17-21-38(69)22-18-36)63-54(76)42-26-39(70)28-65(42)58(80)45(30(2)67)61-53(41)75/h9-24,30-31,39,41-51,55,67-73,77H,6-8,25-29H2,1-5H3,(H,60,74)(H,61,75)(H,62,78)(H,63,76)(H,64,79)/t30-,31-,39-,41-,42+,43-,44+,45+,46+,47+,48?,49+,50+,51+,55-/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Beta glucan synthase |
Bioorg Med Chem Lett 11: 1273-6 (2001)
BindingDB Entry DOI: 10.7270/Q2CN74FQ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175003
(CHEMBL3808812)Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499397
(CHEMBL3734954)Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-3-2-18(16-27-20)35-5-4-19-21(17-14-28-24(26)29-15-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2-3,14-16H,4-13H2,1H3,(H2,26,28,29) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425230
(CHEMBL2314287)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-11-13(12-23-18)16-15-3-6-27(14-1-4-21-5-2-14)17(15)25-19(24-16)26-7-9-28-10-8-26/h1-2,4-5,11-12H,3,6-10H2,(H2,20,22,23) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175021
(CHEMBL3810395)Show SMILES CCN1CCN(CC1)C(=O)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1 Show InChI InChI=1S/C16H9Cl2F3N4OS/c17-10-5-22-6-11(18)13(10)25-15-24-12(7-27-15)14(26)23-9-3-1-8(2-4-9)16(19,20)21/h1-7H,(H,23,26)(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499396
(CHEMBL3736189)Show SMILES CN1CCN(CC1)C(=O)c1cncc(c1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-4-6-33(7-5-32)23(36)17-12-19(16-27-13-17)35-3-2-20-21(18-14-28-24(26)29-15-18)30-25(31-22(20)35)34-8-10-37-11-9-34/h12-16H,2-11H2,1H3,(H2,26,28,29) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338199
(5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-...)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499390
(CHEMBL3736165)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C20H21N7O/c21-19-22-12-14(13-23-19)17-16-6-7-27(15-4-2-1-3-5-15)18(16)25-20(24-17)26-8-10-28-11-9-26/h1-5,12-13H,6-11H2,(H2,21,22,23) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499394
(CHEMBL3736509)Show SMILES CN1CCN(CC1)C(=O)c1cc(ccn1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O2/c1-32-6-8-33(9-7-32)23(36)20-14-18(2-4-27-20)35-5-3-19-21(17-15-28-24(26)29-16-17)30-25(31-22(19)35)34-10-12-37-13-11-34/h2,4,14-16H,3,5-13H2,1H3,(H2,26,28,29) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338200
(3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-5-1-3-15(13-17)19-18-6-8-26(16-4-2-7-22-14-16)20(18)24-21(23-19)25-9-11-28-12-10-25/h1-5,7,13-14,27H,6,8-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338200
(3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-py...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O2/c27-17-5-1-3-15(13-17)19-18-6-8-26(16-4-2-7-22-14-16)20(18)24-21(23-19)25-9-11-28-12-10-25/h1-5,7,13-14,27H,6,8-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499389
(CHEMBL3736206)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(cc1F)C(=O)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C25H27FN8O3/c26-19-13-16(23(35)32-5-9-36-10-6-32)1-2-20(19)34-4-3-18-21(17-14-28-24(27)29-15-17)30-25(31-22(18)34)33-7-11-37-12-8-33/h1-2,13-15H,3-12H2,(H2,27,28,29) | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499392
(CHEMBL3736186)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(CN2CCOCC2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H30N8O2/c26-24-27-15-19(16-28-24)22-21-5-6-33(23(21)30-25(29-22)32-9-13-35-14-10-32)20-3-1-18(2-4-20)17-31-7-11-34-12-8-31/h1-4,15-16H,5-14,17H2,(H2,26,27,28) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499393
(CHEMBL3735088)Show SMILES CN1CCN(Cc2ccc(cc2)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C26H33N9O/c1-32-8-10-33(11-9-32)18-19-2-4-21(5-3-19)35-7-6-22-23(20-16-28-25(27)29-17-20)30-26(31-24(22)35)34-12-14-36-15-13-34/h2-5,16-17H,6-15,18H2,1H3,(H2,27,28,29) | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425224
(CHEMBL2314582)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1nccs1)N1CCOCC1 Show InChI InChI=1S/C19H19N5O2S/c25-14-3-1-2-13(12-14)16-15-4-6-24(19-20-5-11-27-19)17(15)22-18(21-16)23-7-9-26-10-8-23/h1-3,5,11-12,25H,4,6-10H2 | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175004
(CHEMBL3808686)Show SMILES Cc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H24N8O2/c1-14-4-2-3-5-17(14)26-22(31)30-7-6-16-18(15-12-24-20(23)25-13-15)27-21(28-19(16)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175023
(CHEMBL3810130)Show SMILES CCc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H13Cl2F3N2OS/c1-10-17(18(27)26-12-7-5-11(6-8-12)19(22,23)24)28-16(25-10)9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338196
(3-(7-(1H-benzo[d]imidazol-6-yl)-2-morpholino-6,7-d...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50338196
(3-(7-(1H-benzo[d]imidazol-6-yl)-2-morpholino-6,7-d...)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1ccc2nc[nH]c2c1)N1CCOCC1 Show InChI InChI=1S/C23H22N6O2/c30-17-3-1-2-15(12-17)21-18-6-7-29(16-4-5-19-20(13-16)25-14-24-19)22(18)27-23(26-21)28-8-10-31-11-9-28/h1-5,12-14,30H,6-11H2,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50175022
(CHEMBL3809057)Show SMILES CC(C)c1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C17H11BrCl2N2OS/c18-10-3-1-4-11(7-10)21-17(23)15-9-24-16(22-15)8-12-13(19)5-2-6-14(12)20/h1-7,9H,8H2,(H,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50338197
(5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-...)Show SMILES CS(=O)(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 21: 1767-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.065
BindingDB Entry DOI: 10.7270/Q23B60F3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499391
(CHEMBL3735567)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C26H31N9O2/c1-32-7-9-33(10-8-32)24(36)18-3-2-4-20(15-18)35-6-5-21-22(19-16-28-25(27)29-17-19)30-26(31-23(21)35)34-11-13-37-14-12-34/h2-4,15-17H,5-14H2,1H3,(H2,27,28,29) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50174999
(CHEMBL3808833)Show SMILES CN(C(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C22H24N8O2/c1-28(16-5-3-2-4-6-16)22(31)30-8-7-17-18(15-13-24-20(23)25-14-15)26-21(27-19(17)30)29-9-11-32-12-10-29/h2-6,13-14H,7-12H2,1H3,(H2,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosi... |
Bioorg Med Chem 24: 2897-2906 (2016)
Article DOI: 10.1016/j.bmc.2016.04.060
BindingDB Entry DOI: 10.7270/Q21J9CQT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425227
(CHEMBL2314579)Show SMILES Cc1cc(ccn1)N1CCc2c1nc(nc2-c1cccc(O)c1)N1CCOCC1 Show InChI InChI=1S/C22H23N5O2/c1-15-13-17(5-7-23-15)27-8-6-19-20(16-3-2-4-18(28)14-16)24-22(25-21(19)27)26-9-11-29-12-10-26/h2-5,7,13-14,28H,6,8-12H2,1H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425226
(CHEMBL2314580)Show SMILES Oc1cccc(c1)-c1nc(nc2N(CCc12)c1cc[nH]c(=O)c1)N1CCOCC1 Show InChI InChI=1S/C21H21N5O3/c27-16-3-1-2-14(12-16)19-17-5-7-26(15-4-6-22-18(28)13-15)20(17)24-21(23-19)25-8-10-29-11-9-25/h1-4,6,12-13,27H,5,7-11H2,(H,22,28) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50499388
(CHEMBL3736010)Show SMILES Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1ccc(CN2CCOCC2)cc1F)N1CCOCC1 Show InChI InChI=1S/C25H29FN8O2/c26-20-13-17(16-32-5-9-35-10-6-32)1-2-21(20)34-4-3-19-22(18-14-28-24(27)29-15-18)30-25(31-23(19)34)33-7-11-36-12-8-33/h1-2,13-15H,3-12,16H2,(H2,27,28,29) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay |
Bioorg Med Chem 23: 7650-60 (2015)
Article DOI: 10.1016/j.bmc.2015.11.009
BindingDB Entry DOI: 10.7270/Q2CN76XT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425223
(CHEMBL2314583)Show SMILES Cn1ccc(n1)N1CCc2c1nc(nc2-c1cccc(O)c1)N1CCOCC1 Show InChI InChI=1S/C20H22N6O2/c1-24-7-6-17(23-24)26-8-5-16-18(14-3-2-4-15(27)13-14)21-20(22-19(16)26)25-9-11-28-12-10-25/h2-4,6-7,13,27H,5,8-12H2,1H3 | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50425204
(CHEMBL2314286)Show SMILES Nc1ccc(cn1)-c1nc(nc2N(CCc12)c1ccncc1)N1CCOCC1 Show InChI InChI=1S/C20H21N7O/c21-17-2-1-14(13-23-17)18-16-5-8-27(15-3-6-22-7-4-15)19(16)25-20(24-18)26-9-11-28-12-10-26/h1-4,6-7,13H,5,8-12H2,(H2,21,23) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate |
Bioorg Med Chem Lett 23: 673-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.112
BindingDB Entry DOI: 10.7270/Q2KS6SVT |
More data for this
Ligand-Target Pair | |
Search and Browse
