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SMILES: Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1

InChI Key: InChIKey=XLMPPFTZALNBFS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014315   

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
Aromatase (Homo sapiens (Human))	BDBM50014315 ((rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)me...) Show SMILES Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Upstate Medical University Curated by ChEMBL					Assay Description Reversible inhibition of aromatase (unknown origin)				J Med Chem 59: 5131-48 (2016) Article DOI: 10.1021/acs.jmedchem.5b01281 BindingDB Entry DOI: 10.7270/Q2TM7D2S
					More data for this Ligand-Target Pair
Aromatase (Rattus norvegicus)	BDBM50014315 ((rac)-6-((4-chlorophenyl)(1H-1,2,4-triazol-1-yl)me...) Show SMILES Cn1nnc2ccc(cc12)C(c1ccc(Cl)cc1)n1cncn1 Show InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair