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SMILES: Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1

InChI Key: InChIKey=YMRCYWPBGGJWQL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330288   

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 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50330288 (CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...) Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	936	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM50330288 (CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...) Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50330288 (CHEMBL1269112 | Cyclopentyl-[4-(3-methyl-1H-pyrazo...) Show SMILES Cc1[nH]ncc1-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C13H17N5/c1-9-11(8-15-18-9)12-6-7-14-13(17-12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,18)(H,14,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay				J Med Chem 53: 7938-57 (2010) Article DOI: 10.1021/jm100571n BindingDB Entry DOI: 10.7270/Q2T72HQV
					More data for this Ligand-Target Pair