null

SMILES: CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl

InChI Key: InChIKey=KZJSUGHOGMRTFQ-JQXSQYPDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 454561   

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))	BDBM454561 (US10717746, Example 42) Show SMILES CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl Show InChI InChI=1S/C21H26ClN5O2/c1-12-6-19-17(9-24-27(19)11-12)16-8-20(23-10-18(16)22)26-21(29)14-4-3-5-15(7-14)25-13(2)28/h8-10,12,14-15H,3-7,11H2,1-2H3,(H,25,28)(H,23,26,29)/t12?,14-,15+/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	26	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))	BDBM454561 (US10717746, Example 42) Show SMILES CC1Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl Show InChI InChI=1S/C21H26ClN5O2/c1-12-6-19-17(9-24-27(19)11-12)16-8-20(23-10-18(16)22)26-21(29)14-4-3-5-15(7-14)25-13(2)28/h8-10,12,14-15H,3-7,11H2,1-2H3,(H,25,28)(H,23,26,29)/t12?,14-,15+/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