BDBM50154935 CHEMBL3775479

SMILES: CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1

InChI Key: InChIKey=WNAJERRQHPZRPG-UHFFFAOYSA-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 = 50154935   

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-like kinase 5 (Homo sapiens (Human))	BDBM50154935 (CHEMBL3775479) Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50154935 (CHEMBL3775479) Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...				J Med Chem 62: 4606-4623 (2019) Article DOI: 10.1021/acs.jmedchem.9b00189
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50154935 (CHEMBL3775479) Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair