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BDBM222346 CYP144A1 ligand, 1

SMILES: Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1

InChI Key: InChIKey=LPFLWTQGBQVIMT-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222346   
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
Cytochrome P450 144 (CYP144A1-TRV)


(Mycobacterium tuberculosis)
BDBM222346
PNG
(CYP144A1 ligand, 1)
Show SMILES Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1
Show InChI InChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.20E+4n/an/an/an/an/a



University of Cambridge



Assay Description
Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...


Biochemistry 56: 1559-1572 (2017)

More data for this
Ligand-Target Pair