BindingDB logo
myBDB logout

null

SMILES: CC[C@H](Cc1ccccc1)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C2(O)O[C@@H](CC[C@@H](C)C2=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)C\C=C\C=C\1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 513995   
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
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM513995
PNG
(US11059830, Compound 5)
Show SMILES CC[C@H](Cc1ccccc1)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C2(O)O[C@@H](CC[C@@H](C)C2=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)C\C=C\C=C\1 |r,t:44,46|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 7n/an/an/an/an/a


TBA

Assay Description
This protocol utilizes Surface Plasmon Resonance (SPR) as a method to determine kinetics (KD, Ka, Kd) for the binding of compound (analyte) to immobi...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9TKG
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM513995
PNG
(US11059830, Compound 5)
Show SMILES CC[C@H](Cc1ccccc1)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C2(O)O[C@@H](CC[C@@H](C)C2=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)C\C=C\C=C\1 |r,t:44,46|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 18.8n/an/an/an/an/a


TBA

Assay Description
The binding of compounds of the invention to FKBP12 can be determined using the following protocol.General ProtocolThis protocol utilizes Perkin Elme...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JS9TKG
More data for this
Ligand-Target Pair