BDBM50246730 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 Imidothiocarbamate::CHEMBL514316

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

InChI Key: InChIKey=XAOYRTHHGGFHKY-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 = 50246730   

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))	BDBM50246730 (3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...) Show SMILES NC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:10| Show InChI InChI=1S/C24H21N5O2S/c25-24(26)32-12-4-10-28-22(30)20-21(23(28)31)29-17-8-2-1-5-15(17)13-18(29)16-7-3-6-14-9-11-27(20)19(14)16/h1-3,5-9,11,18H,4,10,12-13H2,(H3,25,26)	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	4.30E+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