BDBM50267454 4-((3S,6S)-4-oxo-3-(3-(4-(phosphonooxy)phenyl)acrylamido)-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamido)butanoic acid::CHEMBL475488

SMILES: OC(=O)CCCNC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23

InChI Key: InChIKey=ZLCMNDTYANSVHL-WFZQJCLNSA-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 = 50267454   

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))	BDBM50267454 (4-((3S,6S)-4-oxo-3-(3-(4-(phosphonooxy)phenyl)acry...) Show SMILES OC(=O)CCCNC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r| Show InChI InChI=1S/C26H28N3O9P/c30-22(13-8-16-6-10-19(11-7-16)38-39(35,36)37)28-20-12-9-17-3-1-4-18-15-21(29(24(17)18)26(20)34)25(33)27-14-2-5-23(31)32/h1,3-4,6-8,10-11,13,20-21H,2,5,9,12,14-15H2,(H,27,33)(H,28,30)(H,31,32)(H2,35,36,37)/b13-8+/t20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	815	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