BDBM50130708 CHEMBL3632735

SMILES: C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21

InChI Key: InChIKey=CDJDNJYXUJBYJD-VIFPVBQESA-N

Data: 2 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 2 hits for monomerid = 50130708   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50130708 (CHEMBL3632735) Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r| Show InChI InChI=1S/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130708 (CHEMBL3632735) Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r| Show InChI InChI=1S/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair