BDBM50267458 4-(3-((3S,6S)-6-((S)-1,5-diamino-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::CHEMBL449511

SMILES: NC(=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=NBDPKWNJDKYQAG-WPNUYCOSSA-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 = 50267458   

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))	BDBM50267458 (4-(3-((3S,6S)-6-((S)-1,5-diamino-1,5-dioxopentan-2...) Show SMILES NC(=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/C27H30N5O9P/c28-22(33)12-11-19(25(29)35)31-26(36)21-14-17-3-1-2-16-7-10-20(27(37)32(21)24(16)17)30-23(34)13-6-15-4-8-18(9-5-15)41-42(38,39)40/h1-6,8-9,13,19-21H,7,10-12,14H2,(H2,28,33)(H2,29,35)(H,30,34)(H,31,36)(H2,38,39,40)/b13-6+/t19-,20-,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	233	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