BindingDB logo
myBDB logout

Articleid 50029261

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50282772
PNG
(CHEMBL290015 | SLB-606)
Show SMILES CO[C@@H](\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H]([C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC)[C@H](C)[C@@H](O)CC(=O)C(CC=C)CC=C
Show InChI InChI=1S/C42H67NO11/c1-9-14-30(15-10-2)34(46)25-33(45)28(6)38(26(4)23-29-19-20-32(44)37(24-29)52-8)53-41(49)31-17-12-13-22-43(31)40(48)39(47)42(50)27(5)18-21-36(54-42)35(51-7)16-11-3/h9-11,16,26-33,35-38,44-45,50H,1-2,12-15,17-25H2,3-8H3/b16-11-/t26-,27-,28-,29+,31+,32-,33+,35+,36+,37-,38-,42-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
207n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards immunophilin cytosolic protein FK506 binding protein 12 was determined


Bioorg Med Chem Lett 4: 1581-1584 (1994)


Article DOI: 10.1016/S0960-894X(01)80570-9
BindingDB Entry DOI: 10.7270/Q2Z31ZKX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50282773
PNG
(CHEMBL418618 | Macrocyclic FK506 derivative)
Show SMILES CCC[C@H](\C=C(/C)C[C@H](C)C[C@H](OC)C1O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C(C)C)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC)C(C)=O
Show InChI InChI=1S/C44H73NO11/c1-12-15-33(31(8)46)21-27(4)20-28(5)22-37(53-10)40-38(54-11)24-30(7)44(51,56-40)41(48)42(49)45-19-14-13-16-34(45)43(50)55-39(26(2)3)29(6)23-32-17-18-35(47)36(25-32)52-9/h21,23,26,28,30,32-40,47,51H,12-20,22,24-25H2,1-11H3/b27-21+,29-23+/t28-,30+,32-,33+,34-,35+,36+,37-,38-,39-,40?,44+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards immunophilin cytosolic protein FK506 binding protein 12 was determined


Bioorg Med Chem Lett 4: 1581-1584 (1994)


Article DOI: 10.1016/S0960-894X(01)80570-9
BindingDB Entry DOI: 10.7270/Q2Z31ZKX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%