BDBM353439 4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(pyrimidin-5-ylmethyl)cyclohex-3-en-1-amine::US9796708, Example 671

SMILES: COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cncnc1

InChI Key:

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 = 353439   

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))	BDBM353439 (4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...) Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cncnc1 |t:21| 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	17	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