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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 165B3' AND taxid = 31958   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Cytochrome P450 165B3


(Amycolatopsis orientalis)
BDBM50373062
PNG
(CHEMBL437023)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C45H53N7O12/c1-24(2)20-33(47-3)40(58)48-34(21-25-4-12-29(53)13-5-25)41(59)49-35(23-37(46)57)42(60)51-39(28-10-18-32(56)19-11-28)44(62)52-38(27-8-16-31(55)17-9-27)43(61)50-36(45(63)64)22-26-6-14-30(54)15-7-26/h4-19,24,33-36,38-39,47,53-56H,20-23H2,1-3H3,(H2,46,57)(H,48,58)(H,49,59)(H,50,61)(H,51,60)(H,52,62)(H,63,64)/t33-,34-,35+,36+,38-,39-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to Amycolatopsis orientalis OxyB


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 165B3


(Amycolatopsis orientalis)
BDBM50373061
PNG
(CHEMBL258179)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C45H53N7O12/c1-24(2)20-33(47-3)40(58)48-34(21-25-4-12-29(53)13-5-25)41(59)49-35(23-37(46)57)42(60)51-39(28-10-18-32(56)19-11-28)44(62)52-38(27-8-16-31(55)17-9-27)43(61)50-36(45(63)64)22-26-6-14-30(54)15-7-26/h4-19,24,33-36,38-39,47,53-56H,20-23H2,1-3H3,(H2,46,57)(H,48,58)(H,49,59)(H,50,61)(H,51,60)(H,52,62)(H,63,64)/t33-,34-,35+,36-,38-,39-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 3.50E+4n/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Binding affinity to Amycolatopsis orientalis OxyB


Citation and Details
More data for this
Ligand-Target Pair