null

SMILES: Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F

InChI Key: InChIKey=GVSHPPIHCUEEAH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50343355   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50343355 (2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...) Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F |(-10.3,-27.03,;-8.97,-26.26,;-8.97,-24.72,;-7.64,-23.95,;-7.32,-22.45,;-5.8,-22.28,;-5.17,-23.68,;-6.3,-24.71,;-6.3,-26.26,;-7.64,-27.03,;-4.97,-27.03,;-4.97,-28.57,;-6.31,-29.34,;-3.64,-29.34,;-2.3,-28.57,;-.97,-29.33,;-2.31,-27.02,;-3.65,-26.26,;-3.65,-24.72,;-2.32,-23.94,;-.99,-24.71,;.34,-23.93,;1.75,-24.55,;2.78,-23.4,;2,-22.07,;.5,-22.39,;-5.03,-20.94,;-5.81,-19.61,;-3.49,-20.94,;-2.73,-19.6,;-1.19,-19.59,;-.43,-18.26,;-.41,-20.92,;.29,-19.19,)| Show InChI InChI=1S/C20H18Cl2F3N7O2/c21-11-6-13(22)16(15(7-11)34-5-4-32-3-1-2-28-32)17-12-8-31(9-14(12)29-18(26)30-17)19(33)27-10-20(23,24)25/h1-3,6-7H,4-5,8-10H2,(H,27,33)(H2,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...				J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50343355 (2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...) Show SMILES Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F |(-10.3,-27.03,;-8.97,-26.26,;-8.97,-24.72,;-7.64,-23.95,;-7.32,-22.45,;-5.8,-22.28,;-5.17,-23.68,;-6.3,-24.71,;-6.3,-26.26,;-7.64,-27.03,;-4.97,-27.03,;-4.97,-28.57,;-6.31,-29.34,;-3.64,-29.34,;-2.3,-28.57,;-.97,-29.33,;-2.31,-27.02,;-3.65,-26.26,;-3.65,-24.72,;-2.32,-23.94,;-.99,-24.71,;.34,-23.93,;1.75,-24.55,;2.78,-23.4,;2,-22.07,;.5,-22.39,;-5.03,-20.94,;-5.81,-19.61,;-3.49,-20.94,;-2.73,-19.6,;-1.19,-19.59,;-.43,-18.26,;-.41,-20.92,;.29,-19.19,)| Show InChI InChI=1S/C20H18Cl2F3N7O2/c21-11-6-13(22)16(15(7-11)34-5-4-32-3-1-2-28-32)17-12-8-31(9-14(12)29-18(26)30-17)19(33)27-10-20(23,24)25/h1-3,6-7H,4-5,8-10H2,(H,27,33)(H2,26,29,30)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate				J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5
					More data for this Ligand-Target Pair