BDBM50250813 CHEMBL4095226

SMILES: Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1

InChI Key: InChIKey=GJYYBRPTBQFCBQ-UHFFFAOYSA-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 = 50250813   

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))	BDBM50250813 (CHEMBL4095226) Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1 Show InChI InChI=1S/C17H12FN5/c18-12-3-1-10(2-4-12)11-7-13-14(9-22-16(13)21-8-11)15-5-6-20-17(19)23-15/h1-9H,(H,21,22)(H2,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP				J Med Chem 60: 9470-9489 (2017) Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50250813 (CHEMBL4095226) Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1 Show InChI InChI=1S/C17H12FN5/c18-12-3-1-10(2-4-12)11-7-13-14(9-22-16(13)21-8-11)15-5-6-20-17(19)23-15/h1-9H,(H,21,22)(H2,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP				J Med Chem 60: 9470-9489 (2017) Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH
					More data for this Ligand-Target Pair