BDBM630271 US11802108, Compound 1

SMILES Nc1ccc(CN(CC#C)C(=O)NCC(=O)N2CCCC2c2ccccc2Br)cc1

InChI Key InChIKey=ADQFRGYDEUGYCE-UHFFFAOYSA-N

Data  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 630271   

TargetPeptidyl-prolyl cis-trans isomerase B(Human)
The University Court of The University of Edinburgh

US Patent
LigandPNGBDBM630271(US11802108, Compound 1)
Affinity DataKd:  200nMAssay Description:Pure His-cyclophilins were immobilized and covalently stabilized on the NTA sensor chip according to the protocol described in Thermo-kinetic analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
US Patent

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
The University Court of The University of Edinburgh

US Patent
LigandPNGBDBM630271(US11802108, Compound 1)
Affinity DataKd:  1.40E+3nMAssay Description:Pure His-cyclophilins were immobilized and covalently stabilized on the NTA sensor chip according to the protocol described in Thermo-kinetic analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
US Patent

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
The University Court of The University of Edinburgh

US Patent
LigandPNGBDBM630271(US11802108, Compound 1)
Affinity DataKd:  2.00E+3nMAssay Description:All ITC experiments for the ester series compounds were carried out at 25 C. on a MicroCal Auto iTC200 (GE Healthcare) instrument. The buffer used in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
US Patent

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
The University Court of The University of Edinburgh

US Patent
LigandPNGBDBM630271(US11802108, Compound 1)
Affinity DataKd:  3.20E+3nMAssay Description:Pure His-cyclophilins were immobilized and covalently stabilized on the NTA sensor chip according to the protocol described in Thermo-kinetic analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2023
Entry Details
US Patent