null

SMILES: CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O

InChI Key: InChIKey=HGFLDVQTDYSNRS-BOPFTXTBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 7498   

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 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.2	30
Novartis Pharmaceuticals					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence ATP/ [gamma-32P] ATP. 32P incorpo...				J Med Chem 45: 1741-7 (2002) Article DOI: 10.1021/jm0108348 BindingDB Entry DOI: 10.7270/Q2707ZNJ
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...				J Med Chem 45: 1741-7 (2002) Article DOI: 10.1021/jm0108348 BindingDB Entry DOI: 10.7270/Q2707ZNJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02064 BindingDB Entry DOI: 10.7270/Q2SB49QV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 (CDK2)				J Med Chem 46: 3314-25 (2003) Article DOI: 10.1021/jm0205043 BindingDB Entry DOI: 10.7270/Q2RB7406
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)				J Med Chem 47: 2534-49 (2004) Article DOI: 10.1021/jm0304358 BindingDB Entry DOI: 10.7270/Q2KH0P3P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM7498 ((2Z)-2-benzylidene-4,6-dihydroxy-7-(1-methylpiperi...) Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O Show InChI InChI=1S/C21H21NO4/c1-22-9-7-14(8-10-22)18-15(23)12-16(24)19-20(25)17(26-21(18)19)11-13-5-3-2-4-6-13/h2-6,11-12,14,23-24H,7-10H2,1H3/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.41E+3	n/a	n/a	n/a	n/a	7.2	37
Novartis Pharmaceuticals					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 3...				J Med Chem 45: 1741-7 (2002) Article DOI: 10.1021/jm0108348 BindingDB Entry DOI: 10.7270/Q2707ZNJ
					More data for this Ligand-Target Pair