BDBM25810 2-phenyl-N-(pyridin-4-yl)butanamide::2-phenyl-N-pyridin-4-ylbutanamide::Compound 3937-0152 (EPBA)::JMC522846 Compound 5

SMILES: CCC(C(=O)Nc1ccncc1)c1ccccc1

InChI Key: InChIKey=MODBYAQUXXEFRM-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 25810   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lanosterol 14-alpha demethylase (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)	BDBM25810 (2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...) Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1 Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	7.5	37
University of California at San Francisco					Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...				Antimicrob Agents Chemother 51: 3915-23 (2007) Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi)	BDBM25810 (2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...) Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1 Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	7.4	24
Vanderbilt University					Assay Description As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...				J Med Chem 52: 2846-53 (2009) Article DOI: 10.1021/jm801643b BindingDB Entry DOI: 10.7270/Q2MP51MG
					More data for this Ligand-Target Pair
Cytochrome P450 51(CYP51) Mutant (F78L) (Mycobacterium tuberculosis)	BDBM25810 (2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...) Show SMILES CCC(C(=O)Nc1ccncc1)c1ccccc1 Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	7.5	37
University of California at San Francisco					Assay Description The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...				Antimicrob Agents Chemother 51: 3915-23 (2007) Article DOI: 10.1128/AAC.00311-07 BindingDB Entry DOI: 10.7270/Q20V8B3R
					More data for this Ligand-Target Pair				3D Structure (crystal)