null

SMILES: Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12

InChI Key: InChIKey=OSSQKZBCEPPMTF-GVDBMIGSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 454552   

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))	BDBM454552 (US10717746, Example 33 | US10717746, Example 35) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C24H30ClN5O3/c25-20-13-26-22(11-18(20)19-12-27-30-8-2-1-6-21(19)30)29-23(31)15-4-3-5-17(10-15)28-24(32)16-7-9-33-14-16/h11-13,15-17H,1-10,14H2,(H,28,32)(H,26,29,31)/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))	BDBM454552 (US10717746, Example 33 | US10717746, Example 35) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C24H30ClN5O3/c25-20-13-26-22(11-18(20)19-12-27-30-8-2-1-6-21(19)30)29-23(31)15-4-3-5-17(10-15)28-24(32)16-7-9-33-14-16/h11-13,15-17H,1-10,14H2,(H,28,32)(H,26,29,31)/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	23	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))	BDBM454552 (US10717746, Example 33 | US10717746, Example 35) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C24H30ClN5O3/c25-20-13-26-22(11-18(20)19-12-27-30-8-2-1-6-21(19)30)29-23(31)15-4-3-5-17(10-15)28-24(32)16-7-9-33-14-16/h11-13,15-17H,1-10,14H2,(H,28,32)(H,26,29,31)/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))	BDBM454552 (US10717746, Example 33 | US10717746, Example 35) Show SMILES Clc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2CCOC2)cc1-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C24H30ClN5O3/c25-20-13-26-22(11-18(20)19-12-27-30-8-2-1-6-21(19)30)29-23(31)15-4-3-5-17(10-15)28-24(32)16-7-9-33-14-16/h11-13,15-17H,1-10,14H2,(H,28,32)(H,26,29,31)/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	19	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