null

SMILES: CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1

InChI Key: InChIKey=BRQSWVAJJNFGEP-IODPJOFQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 454593   

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))	BDBM454593 (US10717746, Example 78) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O3/c1-12(28)25-14-5-2-4-13(8-14)21(30)26-19-9-15(17(22)11-23-19)16-10-24-27-18(16)6-3-7-20(27)29/h9-11,13-14,20,29H,2-8H2,1H3,(H,25,28)(H,23,26,30)/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))	BDBM454593 (US10717746, Example 78) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O3/c1-12(28)25-14-5-2-4-13(8-14)21(30)26-19-9-15(17(22)11-23-19)16-10-24-27-18(16)6-3-7-20(27)29/h9-11,13-14,20,29H,2-8H2,1H3,(H,25,28)(H,23,26,30)/t13-,14+,20?/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	720	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))	BDBM454593 (US10717746, Example 78) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O3/c1-12(28)25-14-5-2-4-13(8-14)21(30)26-19-9-15(17(22)11-23-19)16-10-24-27-18(16)6-3-7-20(27)29/h9-11,13-14,20,29H,2-8H2,1H3,(H,25,28)(H,23,26,30)/t13-,14+,20?/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	60	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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454593 (US10717746, Example 78) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3C(O)CCCc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O3/c1-12(28)25-14-5-2-4-13(8-14)21(30)26-19-9-15(17(22)11-23-19)16-10-24-27-18(16)6-3-7-20(27)29/h9-11,13-14,20,29H,2-8H2,1H3,(H,25,28)(H,23,26,30)/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	60	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