BDBM50244932 CHEMBL4072117

SMILES: COC(=O)CCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1

InChI Key: InChIKey=BSWCQPIGWMZARD-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244932   

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
CDK4/Cyclin D3 (Homo sapiens (Human))	BDBM50244932 (CHEMBL4072117) Show SMILES COC(=O)CCCCNC(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C27H34N6O4/c1-32(2)26(36)22-16-19-17-29-27(31-24(19)33(22)21-8-4-5-9-21)30-20-13-11-18(12-14-20)25(35)28-15-7-6-10-23(34)37-3/h11-14,16-17,21H,4-10,15H2,1-3H3,(H,28,35)(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15				J Med Chem 61: 3166-3192 (2018) Article DOI: 10.1021/acs.jmedchem.8b00209 BindingDB Entry DOI: 10.7270/Q2KS6TZK
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