Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.6 BDBM50451681

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50451681 (CHEMBL4208198) Show SMILES CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C28H34FN7/c1-5-34-10-12-35(13-11-34)18-21-6-7-26(31-17-21)33-27-16-22(8-9-30-27)23-14-24(29)28-25(15-23)36(19(2)3)20(4)32-28/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutial, Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kin...				Bioorg Med Chem Lett 27: 5332-5336 (2017) Article DOI: 10.1016/j.bmcl.2017.09.050 BindingDB Entry DOI: 10.7270/Q2H134K1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM50451681 (CHEMBL4208198) Show SMILES CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C28H34FN7/c1-5-34-10-12-35(13-11-34)18-21-6-7-26(31-17-21)33-27-16-22(8-9-30-27)23-14-24(29)28-25(15-23)36(19(2)3)20(4)32-28/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutial, Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK6 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kin...				Bioorg Med Chem Lett 27: 5332-5336 (2017) Article DOI: 10.1016/j.bmcl.2017.09.050 BindingDB Entry DOI: 10.7270/Q2H134K1
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50451681 (CHEMBL4208198) Show SMILES CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C28H34FN7/c1-5-34-10-12-35(13-11-34)18-21-6-7-26(31-17-21)33-27-16-22(8-9-30-27)23-14-24(29)28-25(15-23)36(19(2)3)20(4)32-28/h6-9,14-17,19H,5,10-13,18H2,1-4H3,(H,30,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai HaiHe Pharmaceutial, Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kin...				Bioorg Med Chem Lett 27: 5332-5336 (2017) Article DOI: 10.1016/j.bmcl.2017.09.050 BindingDB Entry DOI: 10.7270/Q2H134K1
					More data for this Ligand-Target Pair