null

SMILES: CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1

InChI Key: InChIKey=HGTYXDXGMWEQPT-UONOGXRCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 454532   

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))	BDBM454532 (US10717746, Example 15) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H25ClN6O2/c1-12(28)25-14-5-2-4-13(8-14)20(29)26-18-9-15(17(21)11-23-18)16-10-24-27-7-3-6-22-19(16)27/h9-11,13-14,22H,2-8H2,1H3,(H,25,28)(H,23,26,29)/t13-,14+/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	5	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))	BDBM454532 (US10717746, Example 15) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H25ClN6O2/c1-12(28)25-14-5-2-4-13(8-14)20(29)26-18-9-15(17(21)11-23-18)16-10-24-27-7-3-6-22-19(16)27/h9-11,13-14,22H,2-8H2,1H3,(H,25,28)(H,23,26,29)/t13-,14+/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	350	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))	BDBM454532 (US10717746, Example 15) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H25ClN6O2/c1-12(28)25-14-5-2-4-13(8-14)20(29)26-18-9-15(17(21)11-23-18)16-10-24-27-7-3-6-22-19(16)27/h9-11,13-14,22H,2-8H2,1H3,(H,25,28)(H,23,26,29)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 in human MV4-11 cells assessed as induction of caspase-3/7 activation measured after 6 hrs followed by Caspase-glo reagent based a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454532 (US10717746, Example 15) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H25ClN6O2/c1-12(28)25-14-5-2-4-13(8-14)20(29)26-18-9-15(17(21)11-23-18)16-10-24-27-7-3-6-22-19(16)27/h9-11,13-14,22H,2-8H2,1H3,(H,25,28)(H,23,26,29)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues measured after 6 hrs by immunof...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454532 (US10717746, Example 15) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCNc23)c(Cl)cn1 |r| Show InChI InChI=1S/C20H25ClN6O2/c1-12(28)25-14-5-2-4-13(8-14)20(29)26-18-9-15(17(21)11-23-18)16-10-24-27-7-3-6-22-19(16)27/h9-11,13-14,22H,2-8H2,1H3,(H,25,28)(H,23,26,29)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V
					More data for this Ligand-Target Pair