BDBM50023592 CHEMBL3355569

SMILES: [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2c(C)cc1=O

InChI Key: InChIKey=UJYTUCKWFVKHKN-IEZWGBDMSA-N

Data: 1 IC50

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 1 hit for monomerid = 50023592   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50023592 (CHEMBL3355569) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2c(C)cc1=O |r,wU:20.23,wD:4.7,1.0,(50.84,-9.39,;49.51,-8.63,;48.18,-7.87,;48.18,-6.32,;49.51,-5.55,;50.84,-6.32,;50.85,-7.85,;49.5,-4.01,;50.84,-3.24,;52.17,-4.01,;52.17,-5.55,;53.5,-6.32,;54.83,-5.55,;56.16,-6.32,;57.5,-5.55,;57.5,-4,;58.84,-3.23,;56.16,-3.22,;54.82,-4,;53.49,-3.24,;49.52,-10.17,;50.86,-10.93,;48.19,-10.94,;48.2,-12.48,;46.87,-13.27,;45.53,-12.51,;44.2,-13.28,;42.87,-12.51,;44.2,-14.82,;45.54,-15.59,;46.87,-14.82,;48.22,-15.59,;48.22,-17.13,;49.56,-14.81,;49.55,-13.26,;50.88,-12.49,)| Show InChI InChI=1S/C25H29FN6O3/c1-14-8-24(34)32(20-9-16(26)4-7-18(14)20)12-19(27)15-2-5-17(6-3-15)28-11-22-29-10-21-25(30-22)31-23(33)13-35-21/h4,7-10,15,17,19,28H,2-3,5-6,11-13,27H2,1H3,(H,29,30,31,33)/t15-,17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair