null

SMILES: CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1Cl

InChI Key: InChIKey=AXPATXSDZXVJDV-MWDXBVQZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 454573   

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))	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