Found 55 hits with Last Name = 'shirai' and Initial = 'h' 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)) | BDBM50096797
(CHEMBL2370665 | macrocyclic lipopeptidolactone der...)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)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/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096795
(CHEMBL2370654 | Macrocyclic lipopeptidolactone der...)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(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/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494481
(CHEMBL3092178)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096793
(CHEMBL2370666 | macrocyclic lipopeptidolactone der...)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](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)CCN)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C70H116N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-45-33-51(93)77-54(38(5)85)64(99)74-37(4)60(95)76-47(31-42-21-23-43(89)24-22-42)61(96)79-53(36(2)3)68(103)84-35-44(90)32-48(84)62(97)80-56(40(7)87)66(101)81-57(41(8)88)69(104)83-30-27-50(92)59(83)67(102)82-58(49(91)26-29-72)63(98)73-34-52(94)78-55(39(6)86)65(100)75-46(25-28-71)70(105)106-45/h21-24,36-41,44-50,53-59,85-92H,9-20,25-35,71-72H2,1-8H3,(H,73,98)(H,74,99)(H,75,100)(H,76,95)(H,77,93)(H,78,94)(H,79,96)(H,80,97)(H,81,101)(H,82,102)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,53+,54+,55+,56+,57+,58+,59+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096799
(CHEMBL2369134 | macrocyclic lipopeptidolactone der...)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(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/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494482
(CHEMBL3092191)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3 | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50443366
(CHEMBL3086065)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22ClN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096798
(CHEMBL2370655 | macrocyclic lipopeptidolactone der...)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)OC(C)(C)C)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/C76H124N14O25/c1-12-13-14-15-16-17-18-19-20-21-22-24-48-35-55(100)83-58(41(5)91)68(106)80-40(4)64(102)82-50(33-45-26-28-46(95)29-27-45)65(103)85-57(39(2)3)72(110)90-38-47(96)34-51(90)66(104)86-60(43(7)93)70(108)87-61(44(8)94)73(111)89-32-30-52(97)63(89)71(109)88-62(53(98)36-54(77)99)67(105)79-37-56(101)84-59(42(6)92)69(107)81-49(74(112)114-48)25-23-31-78-75(113)115-76(9,10)11/h26-29,39-44,47-53,57-63,91-98H,12-25,30-38H2,1-11H3,(H2,77,99)(H,78,113)(H,79,105)(H,80,106)(H,81,107)(H,82,102)(H,83,100)(H,84,101)(H,85,103)(H,86,104)(H,87,108)(H,88,109)/t40-,41-,42-,43-,44-,47-,48-,49+,50+,51+,52+,53-,57+,58+,59+,60+,61+,62+,63+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494494
(CHEMBL3092185)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50451308
(CHEMBL2370657)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](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)[C@@H](C)O)[C@@H](C)O)C(C)C Show InChI InChI=1S/C70H112N14O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-45-33-51(93)77-54(38(5)85)64(99)74-37(4)60(95)76-47(31-42-21-23-43(89)24-22-42)61(96)79-53(36(2)3)68(103)84-35-44(90)32-48(84)62(97)80-56(40(7)87)66(101)81-57(41(8)88)69(104)83-30-27-50(92)59(83)67(102)82-58(49(91)26-29-72)63(98)73-34-52(94)78-55(39(6)86)65(100)75-46(25-28-71)70(105)106-45/h21-24,36-41,44-50,53-59,85-92H,9-20,25-28,30-35,71H2,1-8H3,(H,73,98)(H,74,99)(H,75,100)(H,76,95)(H,77,93)(H,78,94)(H,79,96)(H,80,97)(H,81,101)(H,82,102)/t37-,38-,39-,40-,41-,44-,45-,46+,47+,48+,49-,50+,53+,54+,55+,56+,57+,58+,59+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096800
(CHEMBL2370652 | macrocyclic lipopeptidolactone der...)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)CN)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/C73H119N15O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-46-32-53(98)81-57(39(5)89)67(105)78-38(4)63(101)80-48(30-43-23-25-44(93)26-24-43)64(102)83-56(37(2)3)71(109)88-36-45(94)31-49(88)65(103)84-59(41(7)91)69(107)85-60(42(8)92)72(110)87-29-27-50(95)62(87)70(108)86-61(51(96)33-52(75)97)66(104)77-35-55(100)82-58(40(6)90)68(106)79-47(73(111)112-46)22-20-28-76-54(99)34-74/h23-26,37-42,45-51,56-62,89-96H,9-22,27-36,74H2,1-8H3,(H2,75,97)(H,76,99)(H,77,104)(H,78,105)(H,79,106)(H,80,101)(H,81,98)(H,82,100)(H,83,102)(H,84,103)(H,85,107)(H,86,108)/t38-,39-,40-,41-,42-,45-,46-,47+,48+,49+,50+,51-,56+,57+,58-,59+,60+,61+,62+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010463
(CHEMBL3092195)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096794
(CHEMBL2370668 | macrocyclic lipopeptidolactone der...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](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/C72H118N14O23/c1-10-11-12-13-14-15-16-17-18-19-20-22-46-33-53(95)79-56(39(5)87)66(101)76-38(4)62(97)78-48(31-43-24-26-45(108-9)27-25-43)63(98)81-55(37(2)3)70(105)86-36-44(91)32-49(86)64(99)82-58(41(7)89)68(103)83-59(42(8)90)71(106)85-30-28-50(92)61(85)69(104)84-60(51(93)34-52(74)94)65(100)75-35-54(96)80-57(40(6)88)67(102)77-47(23-21-29-73)72(107)109-46/h24-27,37-42,44,46-51,55-61,87-93H,10-23,28-36,73H2,1-9H3,(H2,74,94)(H,75,100)(H,76,101)(H,77,102)(H,78,97)(H,79,95)(H,80,96)(H,81,98)(H,82,99)(H,83,103)(H,84,104)/t38-,39-,40-,41-,42-,44-,46-,47+,48+,49+,50+,51-,55+,56+,57+,58+,59+,60+,61+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494481
(CHEMBL3092178)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22IN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | 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 C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494484
(CHEMBL3092176)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50010469
(CHEMBL3092179)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494482
(CHEMBL3092191)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-9-8-14(30-21(27)25(3)4)11-18(15)31-20(26)16(12)10-13-6-5-7-17(19(13)22)24-32(28,29)23-2/h5-9,11,23-24H,10H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494485
(CHEMBL3092184)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)c(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-6-5-13(29-20(26)24(2)3)10-18(14)30-19(25)15(11)8-12-4-7-16(21)17(9-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096803
(CHEMBL2370664 | macrocyclic lipopeptidolactone der...)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(C)C)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/C73H120N14O23/c1-11-12-13-14-15-16-17-18-19-20-21-23-47-34-54(97)79-57(40(5)88)67(103)76-39(4)63(99)78-49(32-44-25-27-45(92)28-26-44)64(100)81-56(38(2)3)71(107)87-37-46(93)33-50(87)65(101)82-59(42(7)90)69(105)83-60(43(8)91)72(108)86-31-29-51(94)62(86)70(106)84-61(52(95)35-53(74)96)66(102)75-36-55(98)80-58(41(6)89)68(104)77-48(73(109)110-47)24-22-30-85(9)10/h25-28,38-43,46-52,56-62,88-95H,11-24,29-37H2,1-10H3,(H2,74,96)(H,75,102)(H,76,103)(H,77,104)(H,78,99)(H,79,97)(H,80,98)(H,81,100)(H,82,101)(H,83,105)(H,84,106)/t39-,40-,41-,42-,43-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494494
(CHEMBL3092185)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-8-7-13(29-20(26)24(2)3)10-17(14)30-19(25)15(11)9-12-5-4-6-16(18(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494493
(CHEMBL3092181)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H22N4O6S/c1-13-17-10-15(12-23)19(32-22(28)26(3)4)11-20(17)31-21(27)18(13)9-14-6-5-7-16(8-14)25-33(29,30)24-2/h5-8,10-11,24-25H,9H2,1-4H3 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494487
(CHEMBL3092196)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1 Show InChI InChI=1S/C21H19N3O5S2/c1-13-17-7-6-16(28-21-23-8-9-30-21)12-19(17)29-20(25)18(13)11-14-4-3-5-15(10-14)24-31(26,27)22-2/h3-10,12,22,24H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494491
(CHEMBL3092188)Show SMILES CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-24(2)20(26)29-14-6-7-15-17(11-21)16(19(25)30-18(15)10-14)9-12-4-3-5-13(8-12)23-31(22,27)28/h3-8,10,23H,9,11H2,1-2H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494484
(CHEMBL3092176)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F Show InChI InChI=1S/C21H18FN3O5S2/c1-12-15-7-6-14(29-21-24-8-9-31-21)11-18(15)30-20(26)16(12)10-13-4-3-5-17(19(13)22)25-32(27,28)23-2/h3-9,11,23,25H,10H2,1-2H3 | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494480
(CHEMBL3092192)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(F)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22FN3O6S/c1-12-15-10-17(22)19(31-21(27)25(3)4)11-18(15)30-20(26)16(12)9-13-6-5-7-14(8-13)24-32(28,29)23-2/h5-8,10-11,23-24H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494478
(CHEMBL3092193)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22FN3O6S/c1-23-32(28,29)24-14-6-4-5-13(9-14)10-17-18(12-22)16-8-7-15(30-21(27)25(2)3)11-19(16)31-20(17)26/h4-9,11,23-24H,10,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494479
(CHEMBL3092180)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#C)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C23H23N3O6S/c1-6-16-12-18-14(2)19(11-15-8-7-9-17(10-15)25-33(29,30)24-3)22(27)31-21(18)13-20(16)32-23(28)26(4)5/h1,7-10,12-13,24-25H,11H2,2-5H3 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010469
(CHEMBL3092179)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H25N3O6S/c1-13-9-17-14(2)18(11-15-7-6-8-16(10-15)24-32(28,29)23-3)21(26)30-20(17)12-19(13)31-22(27)25(4)5/h6-10,12,23-24H,11H2,1-5H3 | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494493
(CHEMBL3092181)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#N)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C22H22N4O6S/c1-13-17-10-15(12-23)19(32-22(28)26(3)4)11-20(17)31-21(27)18(13)9-14-6-5-7-16(8-14)25-33(29,30)24-2/h5-8,10-11,24-25H,9H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50010463
(CHEMBL3092195)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F Show InChI InChI=1S/C22H19FN4O5S/c1-13-16-8-7-15(31-22-25-9-4-10-26-22)12-19(16)32-21(28)17(13)11-14-5-3-6-18(20(14)23)27-33(29,30)24-2/h3-10,12,24,27H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494479
(CHEMBL3092180)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C#C)c(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C23H23N3O6S/c1-6-16-12-18-14(2)19(11-15-8-7-9-17(10-15)25-33(29,30)24-3)22(27)31-21(18)13-20(16)32-23(28)26(4)5/h1,7-10,12-13,24-25H,11H2,2-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494492
(CHEMBL3092186)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3)c(C)c2cc1F Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-9-16(21)18(30-20(26)24(2)3)10-17(14)29-19(25)15(11)8-12-5-4-6-13(7-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50010464
(CHEMBL3092189)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H23N3O6S/c1-13-17-9-8-16(29-21(26)24(3)4)12-19(17)30-20(25)18(13)11-14-6-5-7-15(10-14)23-31(27,28)22-2/h5-10,12,22-23H,11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494478
(CHEMBL3092193)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H22FN3O6S/c1-23-32(28,29)24-14-6-4-5-13(9-14)10-17-18(12-22)16-8-7-15(30-21(27)25(2)3)11-19(16)31-20(17)26/h4-9,11,23-24H,10,12H2,1-3H3 | 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 C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494490
(CHEMBL3092187)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1F Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-7-8-16(29-20(26)24(2)3)17(21)18(14)30-19(25)15(11)10-12-5-4-6-13(9-12)23-31(22,27)28/h4-9,23H,10H2,1-3H3,(H2,22,27,28) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096802
(CHEMBL2370656 | macrocyclic lipopeptidolactone der...)Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OCc3ccccc3)cc1)NC(=O)[C@@H](C)NC(=O)[C@@]([H])(NC(=O)C[C@@H](CCCCCCCCCCCCC)OC(=O)[C@H](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/C78H122N14O23/c1-9-10-11-12-13-14-15-16-17-18-22-26-52-37-59(101)85-62(44(5)93)72(107)82-43(4)68(103)84-54(35-48-28-30-51(31-29-48)114-41-49-24-20-19-21-25-49)69(104)87-61(42(2)3)76(111)92-40-50(97)36-55(92)70(105)88-64(46(7)95)74(109)89-65(47(8)96)77(112)91-34-32-56(98)67(91)75(110)90-66(57(99)38-58(80)100)71(106)81-39-60(102)86-63(45(6)94)73(108)83-53(27-23-33-79)78(113)115-52/h19-21,24-25,28-31,42-47,50,52-57,61-67,93-99H,9-18,22-23,26-27,32-41,79H2,1-8H3,(H2,80,100)(H,81,106)(H,82,107)(H,83,108)(H,84,103)(H,85,101)(H,86,102)(H,87,104)(H,88,105)(H,89,109)(H,90,110)/t43-,44+,45-,46-,47-,50-,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 | >130 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494492
(CHEMBL3092186)Show SMILES CN(C)C(=O)Oc1cc2oc(=O)c(Cc3cccc(NS(N)(=O)=O)c3)c(C)c2cc1F Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-9-16(21)18(30-20(26)24(2)3)10-17(14)29-19(25)15(11)8-12-5-4-6-13(7-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28) | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494491
(CHEMBL3092188)Show SMILES CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-24(2)20(26)29-14-6-7-15-17(11-21)16(19(25)30-18(15)10-14)9-12-4-3-5-13(8-12)23-31(22,27)28/h3-8,10,23H,9,11H2,1-2H3,(H2,22,27,28) | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494489
(CHEMBL3092182)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096801
(CHEMBL2370651 | macrocyclic lipopeptidolactone der...)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(C)=O)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/C73H118N14O24/c1-10-11-12-13-14-15-16-17-18-19-20-22-47-33-54(98)80-57(39(5)88)67(104)77-38(4)63(100)79-49(31-44-24-26-45(93)27-25-44)64(101)82-56(37(2)3)71(108)87-36-46(94)32-50(87)65(102)83-59(41(7)90)69(106)84-60(42(8)91)72(109)86-30-28-51(95)62(86)70(107)85-61(52(96)34-53(74)97)66(103)76-35-55(99)81-58(40(6)89)68(105)78-48(73(110)111-47)23-21-29-75-43(9)92/h24-27,37-42,46-52,56-62,88-91,93-96H,10-23,28-36H2,1-9H3,(H2,74,97)(H,75,92)(H,76,103)(H,77,104)(H,78,105)(H,79,100)(H,80,98)(H,81,99)(H,82,101)(H,83,102)(H,84,106)(H,85,107)/t38-,39+,40-,41-,42-,46-,47-,48+,49+,50+,51+,52-,56+,57+,58+,59+,60+,61+,62+/m1/s1 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494490
(CHEMBL3092187)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1F Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-7-8-16(29-20(26)24(2)3)17(21)18(14)30-19(25)15(11)10-12-5-4-6-13(9-12)23-31(22,27)28/h4-9,23H,10H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50010464
(CHEMBL3092189)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 Show InChI InChI=1S/C21H23N3O6S/c1-13-17-9-8-16(29-21(26)24(3)4)12-19(17)30-20(25)18(13)11-14-6-5-7-15(10-14)23-31(27,28)22-2/h5-10,12,22-23H,11H2,1-4H3 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase
(Candida albicans (Yeast)) | BDBM50096796
(CHEMBL2370667 | macrocyclic lipopeptidolactone der...)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](CCCO)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/C71H115N13O24/c1-9-10-11-12-13-14-15-16-17-18-19-21-45-32-52(95)77-55(38(5)86)65(101)74-37(4)61(97)76-47(30-42-23-25-43(90)26-24-42)62(98)79-54(36(2)3)69(105)84-35-44(91)31-48(84)63(99)80-57(40(7)88)67(103)81-58(41(8)89)70(106)83-28-27-49(92)60(83)68(104)82-59(50(93)33-51(72)94)64(100)73-34-53(96)78-56(39(6)87)66(102)75-46(22-20-29-85)71(107)108-45/h23-26,36-41,44-50,54-60,85-93H,9-22,27-35H2,1-8H3,(H2,72,94)(H,73,100)(H,74,101)(H,75,102)(H,76,97)(H,77,95)(H,78,96)(H,79,98)(H,80,99)(H,81,103)(H,82,104)/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 | >520 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans |
Bioorg Med Chem Lett 11: 395-8 (2001)
BindingDB Entry DOI: 10.7270/Q28051W2 |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494489
(CHEMBL3092182)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H21N3O6S/c1-12-16-8-7-15(28-20(25)23(2)3)11-18(16)29-19(24)17(12)10-13-5-4-6-14(9-13)22-30(21,26)27/h4-9,11,22H,10H2,1-3H3,(H2,21,26,27) | 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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494486
(CHEMBL3092194)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1 Show InChI InChI=1S/C22H20N4O5S/c1-14-18-8-7-17(30-22-24-9-4-10-25-22)13-20(18)31-21(27)19(14)12-15-5-3-6-16(11-15)26-32(28,29)23-2/h3-11,13,23,26H,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494488
(CHEMBL3092183)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | 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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50494488
(CHEMBL3092183)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cc(NS(N)(=O)=O)ccc3F)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-15-6-5-14(29-20(26)24(2)3)10-18(15)30-19(25)16(11)9-12-8-13(4-7-17(12)21)23-31(22,27)28/h4-8,10,23H,9H2,1-3H3,(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 m... |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494485
(CHEMBL3092184)Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3ccc(F)c(NS(N)(=O)=O)c3)c(=O)oc2c1 Show InChI InChI=1S/C20H20FN3O6S/c1-11-14-6-5-13(29-20(26)24(2)3)10-18(14)30-19(25)15(11)8-12-4-7-16(21)17(9-12)23-31(22,27)28/h4-7,9-10,23H,8H2,1-3H3,(H2,22,27,28) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50494487
(CHEMBL3092196)Show SMILES CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1 Show InChI InChI=1S/C21H19N3O5S2/c1-13-17-7-6-16(28-21-23-8-9-30-21)12-19(17)29-20(25)18(13)11-14-4-3-5-15(10-14)24-31(26,27)22-2/h3-10,12,22,24H,11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chugai Pharmaceutical Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay |
ACS Med Chem Lett 4: 1059-63 (2013)
Article DOI: 10.1021/ml4002419
BindingDB Entry DOI: 10.7270/Q20K2CJZ |
More data for this
Ligand-Target Pair | |
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