BDBM50545383 CHEMBL4636355

SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O

InChI Key: InChIKey=JWNZXWGMBRXMPK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50545383   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CDK6/CycD3 (Homo sapiens (Human))	BDBM50545383 (CHEMBL4636355) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C45H53N11O9/c1-27-32-25-49-45(52-40(32)55(29-6-3-4-7-29)43(62)38(27)28(2)57)50-35-12-10-30(24-48-35)54-17-15-53(16-18-54)19-21-65-23-22-64-20-14-46-37(59)26-47-33-9-5-8-31-39(33)44(63)56(42(31)61)34-11-13-36(58)51-41(34)60/h5,8-10,12,24-25,29,34,47H,3-4,6-7,11,13-23,26H2,1-2H3,(H,46,59)(H,51,58,60)(H,48,49,50,52)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50545383 (CHEMBL4636355) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCOCCOCCNC(=O)CNc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)CC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C45H53N11O9/c1-27-32-25-49-45(52-40(32)55(29-6-3-4-7-29)43(62)38(27)28(2)57)50-35-12-10-30(24-48-35)54-17-15-53(16-18-54)19-21-65-23-22-64-20-14-46-37(59)26-47-33-9-5-8-31-39(33)44(63)56(42(31)61)34-11-13-36(58)51-41(34)60/h5,8-10,12,24-25,29,34,47H,3-4,6-7,11,13-23,26H2,1-2H3,(H,46,59)(H,51,58,60)(H,48,49,50,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair