Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 9' and Ligand = 'BDBM454573' 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)) | BDBM454573
(US10717746, Example 53)Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,20.24,25.27,27.30,(-1.68,4.97,;-3.02,4.2,;-1.68,3.43,;-3.49,2.73,;-5.03,2.73,;-6.28,1.83,;-7.52,2.73,;-7.05,4.2,;-5.51,4.2,;-4.26,5.1,;-6.28,.29,;-4.94,-.48,;-4.94,-2.02,;-3.61,-2.79,;-2.28,-2.02,;-2.28,-.48,;-.94,-2.79,;-.94,-4.33,;.39,-5.1,;1.72,-4.33,;1.72,-2.79,;.39,-2.02,;3.06,-2.02,;4.39,-2.79,;4.39,-4.33,;5.73,-2.02,;6.12,-.53,;7.61,-.93,;8.95,-.16,;7.21,-2.42,;-6.28,-2.79,;-7.61,-2.02,;-7.61,-.48,;-8.95,.29,)| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)13-25)18-9-22(27-12-20(18)26)30-23(33)14-4-3-5-16(6-14)29-24(34)15-7-17(32)8-15/h9,11-12,14-17,32H,3-8,10,13H2,1-2H3,(H,29,34)(H,27,30,33)/t14-,15-,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)) | BDBM454573
(US10717746, Example 53)Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl |r,wD:16.17,20.24,25.27,27.30,(-1.68,4.97,;-3.02,4.2,;-1.68,3.43,;-3.49,2.73,;-5.03,2.73,;-6.28,1.83,;-7.52,2.73,;-7.05,4.2,;-5.51,4.2,;-4.26,5.1,;-6.28,.29,;-4.94,-.48,;-4.94,-2.02,;-3.61,-2.79,;-2.28,-2.02,;-2.28,-.48,;-.94,-2.79,;-.94,-4.33,;.39,-5.1,;1.72,-4.33,;1.72,-2.79,;.39,-2.02,;3.06,-2.02,;4.39,-2.79,;4.39,-4.33,;5.73,-2.02,;6.12,-.53,;7.61,-.93,;8.95,-.16,;7.21,-2.42,;-6.28,-2.79,;-7.61,-2.02,;-7.61,-.48,;-8.95,.29,)| Show InChI InChI=1S/C25H32ClN5O3/c1-25(2)10-21-19(11-28-31(21)13-25)18-9-22(27-12-20(18)26)30-23(33)14-4-3-5-16(6-14)29-24(34)15-7-17(32)8-15/h9,11-12,14-17,32H,3-8,10,13H2,1-2H3,(H,29,34)(H,27,30,33)/t14-,15-,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 | |