Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM462191'   

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))	BDBM462191 (US10766884, Example F09 | US11220494, Example F10) Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(=O)(=O)C(F)F)ncc1Cl Show InChI InChI=1S/C22H26ClF3N6O4S/c1-10(2)32-16-7-12(6-14(24)19(16)29-20(32)11(3)33)18-13(23)8-27-22(30-18)28-15-4-5-31(9-17(15)34)37(35,36)21(25)26/h6-8,10-11,15,17,21,33-34H,4-5,9H2,1-3H3,(H,27,28,30)/t11?,15-,17-/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))	BDBM462191 (US10766884, Example F09 | US11220494, Example F10) Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(=O)(=O)C(F)F)ncc1Cl Show InChI InChI=1S/C22H26ClF3N6O4S/c1-10(2)32-16-7-12(6-14(24)19(16)29-20(32)11(3)33)18-13(23)8-27-22(30-18)28-15-4-5-31(9-17(15)34)37(35,36)21(25)26/h6-8,10-11,15,17,21,33-34H,4-5,9H2,1-3H3,(H,27,28,30)/t11?,15-,17-/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	0.600	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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM462191 (US10766884, Example F09 | US11220494, Example F10) Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(=O)(=O)C(F)F)ncc1Cl Show InChI InChI=1S/C22H26ClF3N6O4S/c1-10(2)32-16-7-12(6-14(24)19(16)29-20(32)11(3)33)18-13(23)8-27-22(30-18)28-15-4-5-31(9-17(15)34)37(35,36)21(25)26/h6-8,10-11,15,17,21,33-34H,4-5,9H2,1-3H3,(H,27,28,30)/t11?,15-,17-/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	0.600	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