BDBM50443458 CHEMBL3087434

SMILES: CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F

InChI Key: InChIKey=AFCWHBYSCXCKFL-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50443458   

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 (CDK9) (Homo sapiens (Human))	BDBM50443458 (CHEMBL3087434) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F Show InChI InChI=1S/C22H26FN7OS/c1-13-19(32-22(24-2)26-13)18-17(23)12-25-21(29-18)28-16-6-4-5-14(11-16)20(31)27-15-7-9-30(3)10-8-15/h4-6,11-12,15H,7-10H2,1-3H3,(H,24,26)(H,27,31)(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50443458 (CHEMBL3087434) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F Show InChI InChI=1S/C22H26FN7OS/c1-13-19(32-22(24-2)26-13)18-17(23)12-25-21(29-18)28-16-6-4-5-14(11-16)20(31)27-15-7-9-30(3)10-8-15/h4-6,11-12,15H,7-10H2,1-3H3,(H,24,26)(H,27,31)(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50443458 (CHEMBL3087434) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F Show InChI InChI=1S/C22H26FN7OS/c1-13-19(32-22(24-2)26-13)18-17(23)12-25-21(29-18)28-16-6-4-5-14(11-16)20(31)27-15-7-9-30(3)10-8-15/h4-6,11-12,15H,7-10H2,1-3H3,(H,24,26)(H,27,31)(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50443458 (CHEMBL3087434) Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F Show InChI InChI=1S/C22H26FN7OS/c1-13-19(32-22(24-2)26-13)18-17(23)12-25-21(29-18)28-16-6-4-5-14(11-16)20(31)27-15-7-9-30(3)10-8-15/h4-6,11-12,15H,7-10H2,1-3H3,(H,24,26)(H,27,31)(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay				Eur J Med Chem 70: 447-55 (2013) Article DOI: 10.1016/j.ejmech.2013.08.052 BindingDB Entry DOI: 10.7270/Q24J0GKS
					More data for this Ligand-Target Pair