BDBM50415045 CHEMBL571782

SMILES: Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1

InChI Key: InChIKey=HQUWRDCCNSLORW-KDURUIRLSA-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 = 50415045   

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 5 (CDK5) (Homo sapiens (Human))	BDBM50415045 (CHEMBL571782) Show SMILES Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(-7.08,-11.69,;-7.1,-10.15,;-8.45,-9.39,;-8.47,-7.85,;-7.14,-7.07,;-5.81,-7.83,;-5.78,-9.36,;-4.48,-7.05,;-4.5,-5.51,;-3.14,-7.8,;-1.81,-7.02,;-1.13,-5.64,;.26,-6.32,;-.44,-7.71,;1.72,-5.83,;2.18,-4.37,;3.72,-4.35,;4.21,-5.81,;5.54,-6.58,;5.54,-8.13,;4.2,-8.89,;6.87,-8.9,;6.86,-10.44,;8.19,-11.21,;8.19,-12.74,;6.85,-13.52,;5.52,-12.74,;4.19,-13.5,;2.87,-12.74,;2.87,-11.2,;4.2,-10.44,;5.52,-11.21,;2.97,-6.73,)| Show InChI InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)/t18-,19+	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	n/a	n/a	673	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human CDK5/p25 expressed in CHO cells after 2 hrs by whole cell assay				Bioorg Med Chem Lett 19: 5703-7 (2009) Article DOI: 10.1016/j.bmcl.2009.08.019 BindingDB Entry DOI: 10.7270/Q29G5P29
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50415045 (CHEMBL571782) Show SMILES Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1 |r,wU:10.10,12.15,(-7.08,-11.69,;-7.1,-10.15,;-8.45,-9.39,;-8.47,-7.85,;-7.14,-7.07,;-5.81,-7.83,;-5.78,-9.36,;-4.48,-7.05,;-4.5,-5.51,;-3.14,-7.8,;-1.81,-7.02,;-1.13,-5.64,;.26,-6.32,;-.44,-7.71,;1.72,-5.83,;2.18,-4.37,;3.72,-4.35,;4.21,-5.81,;5.54,-6.58,;5.54,-8.13,;4.2,-8.89,;6.87,-8.9,;6.86,-10.44,;8.19,-11.21,;8.19,-12.74,;6.85,-13.52,;5.52,-12.74,;4.19,-13.5,;2.87,-12.74,;2.87,-11.2,;4.2,-10.44,;5.52,-11.21,;2.97,-6.73,)| Show InChI InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)/t18-,19+	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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 by scintillation proximity assay				Bioorg Med Chem Lett 19: 5703-7 (2009) Article DOI: 10.1016/j.bmcl.2009.08.019 BindingDB Entry DOI: 10.7270/Q29G5P29
					More data for this Ligand-Target Pair