BDBM167577 US9073922, 62::US9796708, Example 62

SMILES: COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1

InChI Key: InChIKey=RGVDQTXHXAFWIN-LLVKDONJSA-N

Data: 2 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 2 hits for monomerid = 167577   

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))	BDBM167577 (US9073922, 62 | US9796708, Example 62) Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1 Show InChI InChI=1S/C18H18FN3O/c1-23-17-3-2-12(19)8-14(17)13-5-7-21-18-15(13)9-16(22-18)11-4-6-20-10-11/h2-3,5,7-9,11,20H,4,6,10H2,1H3,(H,21,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM167577 (US9073922, 62 | US9796708, Example 62) Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1 Show InChI InChI=1S/C18H18FN3O/c1-23-17-3-2-12(19)8-14(17)13-5-7-21-18-15(13)9-16(22-18)11-4-6-20-10-11/h2-3,5,7-9,11,20H,4,6,10H2,1H3,(H,21,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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 US9073922 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8C78
					More data for this Ligand-Target Pair