BDBM353195 3-[4-(4-{2-fluoro-5-[(3-fluorobenzyl)amino]phenyl}-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]propane-1,2-diol::US9796708, Example 427

SMILES: OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F

InChI Key:

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 353195   

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
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM353195 (3-[4-(4-{2-fluoro-5-[(3-fluorobenzyl)amino]phenyl}...) Show SMILES OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9796708 (2017) BindingDB Entry DOI: 10.7270/Q2WD42P4
					More data for this Ligand-Target Pair