BDBM81300 Azole, 5

SMILES: O=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1

InChI Key: InChIKey=JJMCCZLIAMHGME-UHFFFAOYSA-N

Data: 2 Kd

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 = 81300   

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
Sterol 14-alpha demethylase (CYP51) (Trypanosoma brucei)	BDBM81300 (Azole, 5) Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1 Show InChI InChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi)	BDBM81300 (Azole, 5) Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1 Show InChI InChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	6.0	n/a
Vanderbilt University					Assay Description Azole derivatives used as an inhibitor of TB and TC CYP51.				Chem Biol 14: 1283-93 (2007) Article DOI: 10.1016/j.chembiol.2007.10.011 BindingDB Entry DOI: 10.7270/Q22J69B7
					More data for this Ligand-Target Pair