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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: Q4U2W2   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,3-beta-glucan synthase


(Pichia kudriavzevii)
BDBM50478215
PNG
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)
Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r|
Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
UniProtKB/TrEMBL

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of FKS1 from Candida krusei 98 isolate


Antimicrob Agents Chemother 51: 1876-8 (2007)


Article DOI: 10.1128/aac.00067-07
BindingDB Entry DOI: 10.7270/Q2V98BW9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Pichia kudriavzevii)
BDBM50478215
PNG
(CHEBI:474180 | Cancidas | Caspofungin | Caspofungi...)
Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](NCCN)NC(=O)[C@]1([H])[C@@H](O)CCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@H](O)CCN)NC(=O)CCCCCCCCC(C)CC(C)CC)[C@@H](C)O |r|
Show InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+,46+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.94E+3n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of FKS1 T2080K mutant from Candida krusei 100 isolate


Antimicrob Agents Chemother 51: 1876-8 (2007)


Article DOI: 10.1128/aac.00067-07
BindingDB Entry DOI: 10.7270/Q2V98BW9
More data for this
Ligand-Target Pair