Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM462199'   

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/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462199 (US10766884, Example F17 | US11220494, Example F17) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O3/c1-11(2)30-12(3)26-21-14(23)6-13(7-17(21)30)20-15(24)8-25-22(28-20)27-16-4-5-29(9-18(16)32)19(33)10-31/h6-8,11,16,18,31-32H,4-5,9-10H2,1-3H3,(H,25,27,28)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XG9V9M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462199 (US10766884, Example F17 | US11220494, Example F17) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1F |r| Show InChI InChI=1S/C22H26F2N6O3/c1-11(2)30-12(3)26-21-14(23)6-13(7-17(21)30)20-15(24)8-25-22(28-20)27-16-4-5-29(9-18(16)32)19(33)10-31/h6-8,11,16,18,31-32H,4-5,9-10H2,1-3H3,(H,25,27,28)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020) BindingDB Entry DOI: 10.7270/Q23F4SQG
					More data for this Ligand-Target Pair