BDBM50267459 4-(3-((3S,6S)-6-((S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-ylcarbamoyl)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indol-3-ylamino)-3-oxoprop-1-enyl)phenyl dihydrogen phosphate::CHEMBL454365

SMILES: CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23

InChI Key: InChIKey=GVJUMJKIUROVHM-AOJQLELESA-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 = 50267459   

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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50267459 (4-(3-((3S,6S)-6-((S)-5-amino-1-(methylamino)-1,5-d...) Show SMILES CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r| Show InChI InChI=1S/C28H32N5O9P/c1-30-26(36)20(12-13-23(29)34)32-27(37)22-15-18-4-2-3-17-8-11-21(28(38)33(22)25(17)18)31-24(35)14-7-16-5-9-19(10-6-16)42-43(39,40)41/h2-7,9-10,14,20-22H,8,11-13,15H2,1H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,37)(H2,39,40,41)/b14-7+/t20-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of Stat3 (unknown origin) by fluorescence polarization assay				J Med Chem 52: 2429-42 (2009) Article DOI: 10.1021/jm801491w BindingDB Entry DOI: 10.7270/Q28C9W4V
					More data for this Ligand-Target Pair