BDBM50267452 4-(3-((2S,5S,Z)-2-((S)-5-amino-1-(benzylamino)-1,5-dioxopentan-2-ylcarbamoyl)-4-oxo-1,2,4,5-tetrahydroazepino[3,2,1-hi]indol-5-ylamino)-3-oxoprop-1-enyl)phenyl dihydrogen phosphate::CHEMBL508912

SMILES: NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3C=C[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(=O)NCc1ccccc1

InChI Key: InChIKey=WUTUQAUOFQUSAD-MEAKHWMCSA-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 = 50267452   

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))	BDBM50267452 (4-(3-((2S,5S,Z)-2-((S)-5-amino-1-(benzylamino)-1,5...) Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3C=C[C@H](NC(=O)\C=C\c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23)C(=O)NCc1ccccc1 |r,c:16| Show InChI InChI=1S/C34H34N5O9P/c35-29(40)17-16-26(32(42)36-20-22-5-2-1-3-6-22)38-33(43)28-19-24-8-4-7-23-12-15-27(34(44)39(28)31(23)24)37-30(41)18-11-21-9-13-25(14-10-21)48-49(45,46)47/h1-15,18,26-28H,16-17,19-20H2,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b18-11+/t26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	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