BDBM50246731 3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':4,5,6]pyrrolo[3',4':2,3][1,4] diazepino[1,7-a]indol-2-yl)propyl N-ethylimidothiocarbamate::CHEMBL474724

SMILES: CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13

InChI Key: InChIKey=WTNLCQZGISMWKP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50246731   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246731 (3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...) Show SMILES CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:12| Show InChI InChI=1S/C26H25N5O2S/c1-2-28-26(27)34-14-6-12-30-24(32)22-23(25(30)33)31-19-10-4-3-7-17(19)15-20(31)18-9-5-8-16-11-13-29(22)21(16)18/h3-5,7-11,13,20H,2,6,12,14-15H2,1H3,(H2,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of General Genetics Curated by ChEMBL					Assay Description Inhibition of human CDK2/Cyc2				J Med Chem 51: 7731-6 (2008) Article DOI: 10.1021/jm800758s BindingDB Entry DOI: 10.7270/Q2HD7VH4
					More data for this Ligand-Target Pair