null

SMILES: CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)C(O)c23)c(Cl)cn1

InChI Key: InChIKey=DWIMUBHJHRCWLT-IODPJOFQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 454595   

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 (Homo sapiens (Human))	BDBM454595 (US10717746, Example 79) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)C(O)c23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O3/c1-12(29)26-14-6-4-5-13(7-14)21(31)27-18-8-15(17(23)10-24-18)16-9-25-28-11-22(2,3)20(30)19(16)28/h8-10,13-14,20,30H,4-7,11H2,1-3H3,(H,26,29)(H,24,27,31)/t13-,14+,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454595 (US10717746, Example 79) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)C(O)c23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O3/c1-12(29)26-14-6-4-5-13(7-14)21(31)27-18-8-15(17(23)10-24-18)16-9-25-28-11-22(2,3)20(30)19(16)28/h8-10,13-14,20,30H,4-7,11H2,1-3H3,(H,26,29)(H,24,27,31)/t13-,14+,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence o...				US Patent US10717746 (2020) BindingDB Entry DOI: 10.7270/Q2NV9N9F
					More data for this Ligand-Target Pair