BDBM50545377 CHEMBL4640158

SMILES: C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1

InChI Key: InChIKey=FILLLYJLVXSRAT-ZJOJESOSSA-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 = 50545377   

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))	BDBM50545377 (CHEMBL4640158) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C55H73N11O9S/c1-34-33-76-51(58-34)39-14-12-38(13-15-39)36(3)59-50(70)44-28-42(68)31-65(44)53(72)48(55(5,6)7)61-46(69)32-75-27-26-74-25-24-73-23-22-63-18-20-64(21-19-63)41-16-17-45(56-29-41)60-54-57-30-43-35(2)47(37(4)67)52(71)66(49(43)62-54)40-10-8-9-11-40/h12-17,29-30,33,36,40,42,44,48,68H,8-11,18-28,31-32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t36-,42+,44-,48+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	158	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))	BDBM50545377 (CHEMBL4640158) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1)C(C)(C)C)c1ccc(cc1)-c1nc(C)cs1 |r| Show InChI InChI=1S/C55H73N11O9S/c1-34-33-76-51(58-34)39-14-12-38(13-15-39)36(3)59-50(70)44-28-42(68)31-65(44)53(72)48(55(5,6)7)61-46(69)32-75-27-26-74-25-24-73-23-22-63-18-20-64(21-19-63)41-16-17-45(56-29-41)60-54-57-30-43-35(2)47(37(4)67)52(71)66(49(43)62-54)40-10-8-9-11-40/h12-17,29-30,33,36,40,42,44,48,68H,8-11,18-28,31-32H2,1-7H3,(H,59,70)(H,61,69)(H,56,57,60,62)/t36-,42+,44-,48+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	40	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