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 = 'BDBM462204'   

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))	BDBM462204 (US10766884, Example F22 | US11220494, Example F22) Show SMILES CC(C)(C)n1cnc2ccc(nc12)-c1cc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1Cl |r| Show InChI InChI=1S/C22H27ClN6O3/c1-22(2,3)29-12-25-17-5-4-15(27-21(17)29)13-8-19(24-9-14(13)23)26-16-6-7-28(10-18(16)31)20(32)11-30/h4-5,8-9,12,16,18,30-31H,6-7,10-11H2,1-3H3,(H,24,26)/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))	BDBM462204 (US10766884, Example F22 | US11220494, Example F22) Show SMILES CC(C)(C)n1cnc2ccc(nc12)-c1cc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1Cl |r| Show InChI InChI=1S/C22H27ClN6O3/c1-22(2,3)29-12-25-17-5-4-15(27-21(17)29)13-8-19(24-9-14(13)23)26-16-6-7-28(10-18(16)31)20(32)11-30/h4-5,8-9,12,16,18,30-31H,6-7,10-11H2,1-3H3,(H,24,26)/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