BDBM50526801 CHEMBL4474655

SMILES: FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12

InChI Key: InChIKey=RSEOXWPUDYEWFU-JTQLQIEISA-N

Data: 3 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 3 hits for monomerid = 50526801   

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 7 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50526801 (CHEMBL4474655) Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) after 4 hrs				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111641
					More data for this Ligand-Target Pair