Found 183 hits with Last Name = 'tsukaguchi' and Initial = 't' 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 |
|---|
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344644
(8-(2-(diethylamino)ethoxy)-3-ethoxy-6,6-dimethylbe...)Show SMILES CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O Show InChI InChI=1S/C26H31NO4/c1-6-27(7-2)13-14-30-17-9-11-19-21(15-17)26(4,5)25-23(24(19)28)20-12-10-18(29-8-3)16-22(20)31-25/h9-12,15-16H,6-8,13-14H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
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 | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479835
(CHEMBL510873)Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3cccc(c3)C#N)c2o1)C#N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C28H18N6O/c1-34-17-33-16-25(34)28(32,23-7-5-18(13-29)6-8-23)26-12-22-10-20(15-31)11-24(27(22)35-26)21-4-2-3-19(9-21)14-30/h2-12,16-17H,32H2,1H3/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479863
(CHEMBL521743)Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)[C@@](N)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O |r| Show InChI InChI=1S/C27H21N5O4/c1-31-16-30-15-24(31)27(29,20-8-6-17(14-28)7-9-20)25-12-19-10-21(32(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16H,29H2,1-2H3/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
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 | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479859
(CHEMBL508937)Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)C(N)=O Show InChI InChI=1S/C28H22N4O4/c1-32-16-31-15-24(32)28(34,21-8-6-17(14-29)7-9-21)25-13-19-10-20(27(30)33)12-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16,34H,1-2H3,(H2,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
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 | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479847
(CHEMBL514300)Show SMILES COc1cccc(c1)-c1cc(CO)cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C28H23N3O4/c1-31-17-30-15-25(31)28(33,22-8-6-18(14-29)7-9-22)26-13-21-10-19(16-32)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,15,17,32-33H,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50362778
(CHEMBL1940182)Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479856
(CHEMBL454405)Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3cccc(F)c3)c2o1)C#N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H18FN5O/c1-33-16-32-15-24(33)27(31,21-7-5-17(13-29)6-8-21)25-12-20-9-18(14-30)10-23(26(20)34-25)19-3-2-4-22(28)11-19/h2-12,15-16H,31H2,1H3/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50362779
(CHEMBL1940181 | US9126931, 346)Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479848
(CHEMBL489318)Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)[C@@](N)(c1cncn1C)c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C28H21N5O2/c1-33-17-32-16-25(33)28(31,22-8-6-18(14-29)7-9-22)26-13-21-10-19(15-30)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,16-17H,31H2,1-2H3/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
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
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| 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 | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344664
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479849
(CHEMBL489121)Show SMILES Cn1cncc1[C@](N)(c1cc2cc(cc(-c3ccccc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H19N5O3/c1-30-16-29-15-23(30)26(28,20-9-7-17(14-27)8-10-20)24-12-19-11-21(31(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18/h2-13,15-16H,28H2,1H3/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344664
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK activity by TR-FRET assay |
J Med Chem 54: 6286-94 (2011)
Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344662
(8-(4-isopropylpiperazin-1-yl)-6,6-dimethyl-11-oxo-...)Show SMILES CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1 Show InChI InChI=1S/C26H28N4O/c1-16(2)29-9-11-30(12-10-29)18-6-8-19-21(14-18)26(3,4)25-23(24(19)31)20-7-5-17(15-27)13-22(20)28-25/h5-8,13-14,16,28H,9-12H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50362781
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479853
(CHEMBL511113)Show SMILES COc1cccc(c1)-c1cc(C=O)cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C28H21N3O4/c1-31-17-30-15-25(31)28(33,22-8-6-18(14-29)7-9-22)26-13-21-10-19(16-32)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,15-17,33H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50362782
(CHEMBL1940179)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h8-9,14-16,20,31H,4-7,10-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479850
(CHEMBL475149)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)C#N)c1ccc(cc1)C#N Show InChI InChI=1S/C27H18N4O2/c1-31-17-30-16-24(31)27(32,22-9-7-18(14-28)8-10-22)25-13-21-11-19(15-29)12-23(26(21)33-25)20-5-3-2-4-6-20/h2-13,16-17,32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479864
(CHEMBL510021)Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)C(=O)NN1CCOCC1 Show InChI InChI=1S/C32H29N5O5/c1-36-20-34-19-28(36)32(39,25-8-6-21(18-33)7-9-25)29-17-23-14-24(31(38)35-37-10-12-41-13-11-37)16-27(30(23)42-29)22-4-3-5-26(15-22)40-2/h3-9,14-17,19-20,39H,10-13H2,1-2H3,(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50352764
(CHEMBL1823220)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N Show InChI InChI=1S/C28H26N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h1,5-6,11-13,19,30H,7-10,15-16H2,2-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK activity by TR-FRET assay |
J Med Chem 54: 6286-94 (2011)
Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479860
(CHEMBL473148)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3cccc(c3)C#N)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-7-5-17(13-28)6-8-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16,33H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50352760
(CHEMBL1823221 | US9126931, 350)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50352760
(CHEMBL1823221 | US9126931, 350)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK activity by TR-FRET assay |
J Med Chem 54: 6286-94 (2011)
Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479851
(CHEMBL462021)Show SMILES COC(=O)c1cc(-c2cccc(OC)c2)c2oc(cc2c1)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C29H23N3O5/c1-32-17-31-16-25(32)29(34,22-9-7-18(15-30)8-10-22)26-14-20-11-21(28(33)36-3)13-24(27(20)37-26)19-5-4-6-23(12-19)35-2/h4-14,16-17,34H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479857
(CHEMBL472956)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3F)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,18-8-6-16(13-28)7-9-18)24-11-17-10-19(31(33)34)12-21(25(17)35-24)20-4-2-3-5-22(20)27/h2-12,14-15,32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479858
(CHEMBL453395)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccc(cc3)C#N)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-8-4-18(14-29)5-9-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-6-2-17(13-28)3-7-19/h2-12,15-16,33H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
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 | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344655
(8-[2-(1,1-Dioxo-1lambda-6-thiomorpholin-4-yl)-etho...)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCS(=O)(=O)CC3)cc12)C#N Show InChI InChI=1S/C25H25N3O4S/c1-25(2)20-14-17(32-10-7-28-8-11-33(30,31)12-9-28)4-6-18(20)23(29)22-19-5-3-16(15-26)13-21(19)27-24(22)25/h3-6,13-14,27H,7-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479836
(CHEMBL511072)Show SMILES COc1ccc(cc1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C27H20N4O5/c1-30-16-29-15-24(30)27(32,20-7-3-17(14-28)4-8-20)25-12-19-11-21(31(33)34)13-23(26(19)36-25)18-5-9-22(35-2)10-6-18/h3-13,15-16,32H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50362783
(CHEMBL1940178)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1 Show InChI InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP |
Bioorg Med Chem 20: 1271-80 (2012)
Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479854
(CHEMBL453394)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3cccc(F)c3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,19-7-5-16(13-28)6-8-19)24-11-18-10-21(31(33)34)12-22(25(18)35-24)17-3-2-4-20(27)9-17/h2-12,14-15,32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479837
(CHEMBL516034)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H18N4O4/c1-29-16-28-15-23(29)26(31,20-9-7-17(14-27)8-10-20)24-12-19-11-21(30(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18/h2-13,15-16,31H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479838
(CHEMBL513211)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccccc3)c2o1)C(=O)NN1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H27ClN4O4/c1-34-19-32-18-26(34)30(37,23-7-9-24(31)10-8-23)27-17-21-15-22(29(36)33-35-11-13-38-14-12-35)16-25(28(21)39-27)20-5-3-2-4-6-20/h2-10,15-19,37H,11-14H2,1H3,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479839
(CHEMBL517280)Show SMILES Cn1cncc1C(O)(c1cc2cc(cc(-c3ccc(F)cc3)c2o1)[N+]([O-])=O)c1ccc(cc1)C#N Show InChI InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,19-6-2-16(13-28)3-7-19)24-11-18-10-21(31(33)34)12-22(25(18)35-24)17-4-8-20(27)9-5-17/h2-12,14-15,32H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344654
(8-(2-(diethylamino)ethoxy)-6,6-dimethyl-11-oxo-6,1...)Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1 Show InChI InChI=1S/C25H27N3O2/c1-5-28(6-2)11-12-30-17-8-10-18-20(14-17)25(3,4)24-22(23(18)29)19-9-7-16(15-26)13-21(19)27-24/h7-10,13-14,27H,5-6,11-12H2,1-4H3 | PDB
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 |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479861
(CHEMBL473151)Show SMILES COc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C27H20N4O5/c1-30-16-29-15-24(30)27(32,20-8-6-17(14-28)7-9-20)25-12-19-10-21(31(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16,32H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
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 | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479840
(CHEMBL475148)Show SMILES COc1cccc(c1)-c1cc(CN(C)C)cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N Show InChI InChI=1S/C30H28N4O3/c1-33(2)18-21-12-23-15-28(37-29(23)26(13-21)22-6-5-7-25(14-22)36-4)30(35,27-17-32-19-34(27)3)24-10-8-20(16-31)9-11-24/h5-15,17,19,35H,18H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50352765
(CHEMBL1823219)Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1 Show InChI InChI=1S/C27H28N4O2/c1-16-10-20-21(12-23(16)31-8-6-30(7-9-31)18-14-33-15-18)27(2,3)26-24(25(20)32)19-5-4-17(13-28)11-22(19)29-26/h4-5,10-12,18,29H,6-9,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK activity by TR-FRET assay |
J Med Chem 54: 6286-94 (2011)
Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50479852
(CHEMBL473149)Show SMILES Cc1cccc(c1)-c1cc(cc2cc(oc12)C(O)(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O Show InChI InChI=1S/C27H20N4O4/c1-17-4-3-5-19(10-17)23-13-22(31(33)34)11-20-12-25(35-26(20)23)27(32,24-15-29-16-30(24)2)21-8-6-18(14-28)7-9-21/h3-13,15-16,32H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human FTase |
Bioorg Med Chem Lett 19: 1753-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.074
BindingDB Entry DOI: 10.7270/Q28G8PGH |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344660
(8-(4-hydroxypiperidin-1-yl)-6,6-dimethyl-11-oxo-6,...)Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(O)CC1)C#N Show InChI InChI=1S/C24H23N3O2/c1-24(2)19-12-15(27-9-7-16(28)8-10-27)4-6-17(19)22(29)21-18-5-3-14(13-25)11-20(18)26-23(21)24/h3-6,11-12,16,26,28H,7-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50344656
(CHEMBL1779194 | N-(2-(3-cyano-6,6-dimethyl-11-oxo-...)Show SMILES CC(=O)NCCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1 Show InChI InChI=1S/C23H21N3O3/c1-13(27)25-8-9-29-15-5-7-16-18(11-15)23(2,3)22-20(21(16)28)17-6-4-14(12-24)10-19(17)26-22/h4-7,10-11,26H,8-9H2,1-3H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay |
Bioorg Med Chem Lett 21: 3788-93 (2011)
Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2 |
More data for this
Ligand-Target Pair | |
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