BDBM50267519 4-(3-((3S,6S)-6-((S)-1-amino-4-(methylsulfonyl)-1-oxobutan-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::CHEMBL455671

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

InChI Key: InChIKey=GNIZQNBAFKDVNQ-ZBWWTEJSSA-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 = 50267519   

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))	BDBM50267519 (4-(3-((3S,6S)-6-((S)-1-amino-4-(methylsulfonyl)-1-...) Show SMILES CS(=O)(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(N)=O |r| Show InChI InChI=1S/C27H31N4O10PS/c1-43(39,40)14-13-20(25(28)33)30-26(34)22-15-18-4-2-3-17-8-11-21(27(35)31(22)24(17)18)29-23(32)12-7-16-5-9-19(10-6-16)41-42(36,37)38/h2-7,9-10,12,20-22H,8,11,13-15H2,1H3,(H2,28,33)(H,29,32)(H,30,34)(H2,36,37,38)/b12-7+/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	7.03E+3	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