BDBM454538 US10717746, Example 21

SMILES: CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl

InChI Key: InChIKey=OJMFGZGCGNGPDF-LSDHHAIUSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 454538   

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))	BDBM454538 (US10717746, Example 21) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-23(2)10-19-17(11-27-30(19)13-23)16-9-20(26-12-18(16)25)29-21(31)14-4-3-5-15(8-14)28-22(32)24(33)6-7-24/h9,11-12,14-15,33H,3-8,10,13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM454538 (US10717746, Example 21) Show SMILES CC1(C)Cc2c(cnn2C1)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r| Show InChI InChI=1S/C24H30ClN5O3/c1-23(2)10-19-17(11-27-30(19)13-23)16-9-20(26-12-18(16)25)29-21(31)14-4-3-5-15(8-14)28-22(32)24(33)6-7-24/h9,11-12,14-15,33H,3-8,10,13H2,1-2H3,(H,28,32)(H,26,29,31)/t14-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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)
					More data for this Ligand-Target Pair