null

SMILES: COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N

InChI Key: InChIKey=ZJMXSDPJDCXSAG-UHFFFAOYSA-N

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 12605   

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))	BDBM12605 (2,4-Diamino-5-ketopyrimidine 23 | 5-[(2-methoxyphe...) Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N Show InChI InChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	481	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...				J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM12605 (2,4-Diamino-5-ketopyrimidine 23 | 5-[(2-methoxyphe...) Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N Show InChI InChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc.					Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...				J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM12605 (2,4-Diamino-5-ketopyrimidine 23 | 5-[(2-methoxyphe...) Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N Show InChI InChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.27E+3	-7.38	n/a	n/a	n/a	n/a	n/a	7.0	37
Hoffmann-La Roche Inc.					Assay Description Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...				J Med Chem 49: 6549-60 (2006) Article DOI: 10.1021/jm0606138 BindingDB Entry DOI: 10.7270/Q2QR4VB2
					More data for this Ligand-Target Pair