Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM454540'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM454540 (US10717746, Example 23) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)ncc1Cl |r| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)14-25)18-9-22(27-12-20(18)26)30-23(32)15-4-3-5-17(8-15)29-24(33)16-6-7-34-13-16/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3,(H,29,33)(H,27,30,32)/t15-,16+,17+/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))	BDBM454540 (US10717746, Example 23) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)ncc1Cl |r| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)14-25)18-9-22(27-12-20(18)26)30-23(32)15-4-3-5-17(8-15)29-24(33)16-6-7-34-13-16/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3,(H,29,33)(H,27,30,32)/t15-,16+,17+/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