BDBM50465949 CHEMBL4276822

SMILES: Fc1ccc(cc1)-c1cc(F)c([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1

InChI Key: InChIKey=VZHXYQRJRDRVFA-NDEPHWFRSA-N

Data: 2 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 2 hits for monomerid = 50465949   

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)	BDBM50465949 (CHEMBL4276822) Show SMILES Fc1ccc(cc1)-c1cc(F)c([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	8.40	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
Sterol 14α-demethylase (CYP51) (Leishmania infantum)	BDBM50465949 (CHEMBL4276822) Show SMILES Fc1ccc(cc1)-c1cc(F)c([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	24	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