BDBM50246773 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-allylimidothiocarbamate::CHEMBL523597

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

InChI Key: InChIKey=LIAFRECYLMRUSI-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 = 50246773   

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 4 (Homo sapiens (Human))	BDBM50246773 (3-(1,3-Dioxo-1,3,9b,10-tetrahydro-2H-indolo[1',7':...) Show SMILES C=CCNC(=N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(C4Cc5ccccc5N24)c13 |c:13| Show InChI InChI=1S/C27H25N5O2S/c1-2-12-29-27(28)35-15-6-13-31-25(33)23-24(26(31)34)32-20-10-4-3-7-18(20)16-21(32)19-9-5-8-17-11-14-30(23)22(17)19/h2-5,7-11,14,21H,1,6,12-13,15-16H2,(H2,28,29)	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	6.90E+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 CDK4/CycD1				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