BDBM81303 Azole, 8

SMILES: Clc1ccc(cc1)-c1cc(cs1)C(=O)NCC(c1ccccc1)n1ccnc1

InChI Key: InChIKey=VUQYJWCIEWHLQA-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 = 81303   

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 cruzi)	BDBM81303 (Azole, 8) Show SMILES Clc1ccc(cc1)-c1cc(cs1)C(=O)NCC(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	110	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 brucei)	BDBM81303 (Azole, 8) Show SMILES Clc1ccc(cc1)-c1cc(cs1)C(=O)NCC(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	210	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