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BDBM50493533 CHEMBL2431622

SMILES: Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=BZMHLXYJYSXKDL-MHZLTWQESA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493533   
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
Sterol 14-alpha demethylase (CYP51)


(Trypanosoma cruzi)		BDBM50493533
PNG
(CHEMBL2431622)
Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H22ClFN4O2/c30-21-8-5-18(6-9-21)19-7-10-24(25(31)15-19)28(36)35-27(29(37)34-22-11-13-32-14-12-22)16-20-17-33-26-4-2-1-3-23(20)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a<5n/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis

J Med Chem 56: 7651-68 (2013)


Article DOI: 10.1021/jm401067s
BindingDB Entry DOI: 10.7270/Q2TB19VT
More data for this
Ligand-Target Pair