BDBM50276214 CHEMBL4129161

SMILES: Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=AZQFCMJDNRLROF-QHCPKHFHSA-N

Data: 3 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 3 hits for monomerid = 50276214   

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 (Candida albicans (strain SC5314 / ATCC MYA-2876) (...)	BDBM50276214 (CHEMBL4129161) Show SMILES Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H17Cl2F2N5O2/c27-18-6-7-19(20(28)12-18)23(13-35-10-9-31-14-35)32-24(36)15-1-3-16(4-2-15)25-33-34-26(37-25)17-5-8-21(29)22(30)11-17/h1-12,14,23H,13H2,(H,32,36)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to Candida albicans CYP51 by spectral titration method				J Med Chem 61: 5679-5691 (2018) Article DOI: 10.1021/acs.jmedchem.8b00641 BindingDB Entry DOI: 10.7270/Q26H4KX9
					More data for this Ligand-Target Pair
Sterol 14α-demethylase (CYP51) (Leishmania infantum)	BDBM50276214 (CHEMBL4129161) Show SMILES Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H17Cl2F2N5O2/c27-18-6-7-19(20(28)12-18)23(13-35-10-9-31-14-35)32-24(36)15-1-3-16(4-2-15)25-33-34-26(37-25)17-5-8-21(29)22(30)11-17/h1-12,14,23H,13H2,(H,32,36)/t23-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to Leishmania infantum CYP51 expressed in Escherichia coli				J Med Chem 61: 10910-10921 (2018) Article DOI: 10.1021/acs.jmedchem.8b01671 BindingDB Entry DOI: 10.7270/Q2VQ35B9
					More data for this Ligand-Target Pair
Sterol 14-alpha demethylase (CYP51) (Trypanosoma cruzi)	BDBM50276214 (CHEMBL4129161) Show SMILES Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H17Cl2F2N5O2/c27-18-6-7-19(20(28)12-18)23(13-35-10-9-31-14-35)32-24(36)15-1-3-16(4-2-15)25-33-34-26(37-25)17-5-8-21(29)22(30)11-17/h1-12,14,23H,13H2,(H,32,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to Trypanosoma cruzi Y CYP51A expressed in Escherichia coli				J Med Chem 61: 10910-10921 (2018) Article DOI: 10.1021/acs.jmedchem.8b01671 BindingDB Entry DOI: 10.7270/Q2VQ35B9
					More data for this Ligand-Target Pair