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 = 'BDBM462212'   

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))	BDBM462212 ((Scheme F-7): Preparation of 2-[(3R,4R)-4-{[4-(3-t...) Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(N)CC(F)(F)C2)ncc1Cl |r| Show InChI InChI=1S/C25H29ClF3N7O2/c1-23(2,3)36-12-32-20-15(27)6-13(7-17(20)36)19-14(26)8-31-22(34-19)33-16-4-5-35(9-18(16)37)21(38)24(30)10-25(28,29)11-24/h6-8,12,16,18,37H,4-5,9-11,30H2,1-3H3,(H,31,33,34)/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))	BDBM462212 ((Scheme F-7): Preparation of 2-[(3R,4R)-4-{[4-(3-t...) Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(N)CC(F)(F)C2)ncc1Cl |r| Show InChI InChI=1S/C25H29ClF3N7O2/c1-23(2,3)36-12-32-20-15(27)6-13(7-17(20)36)19-14(26)8-31-22(34-19)33-16-4-5-35(9-18(16)37)21(38)24(30)10-25(28,29)11-24/h6-8,12,16,18,37H,4-5,9-11,30H2,1-3H3,(H,31,33,34)/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