Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 519.6 BDBM50451679

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 6 (Homo sapiens (Human))	BDBM50451679 (CHEMBL4214634) Show SMILES COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1 Show InChI InChI=1S/C27H34FN9O/c1-18(2)37-19(3)33-27-22(28)11-20(12-24(27)37)23-13-25(32-17-31-23)34-26-15-29-21(14-30-26)16-36-7-5-35(6-8-36)9-10-38-4/h11-15,17-18H,5-10,16H2,1-4H3,(H,30,31,32,34)	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	1.60	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 4 (Homo sapiens (Human))	BDBM50451679 (CHEMBL4214634) Show SMILES COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1 Show InChI InChI=1S/C27H34FN9O/c1-18(2)37-19(3)33-27-22(28)11-20(12-24(27)37)23-13-25(32-17-31-23)34-26-15-29-21(14-30-26)16-36-7-5-35(6-8-36)9-10-38-4/h11-15,17-18H,5-10,16H2,1-4H3,(H,30,31,32,34)	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	3.70	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 1 (Homo sapiens (Human))	BDBM50451679 (CHEMBL4214634) Show SMILES COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1 Show InChI InChI=1S/C27H34FN9O/c1-18(2)37-19(3)33-27-22(28)11-20(12-24(27)37)23-13-25(32-17-31-23)34-26-15-29-21(14-30-26)16-36-7-5-35(6-8-36)9-10-38-4/h11-15,17-18H,5-10,16H2,1-4H3,(H,30,31,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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