BDBM50343636 4-((E)-4-((S)-1-((S)-2-((R)-5-amino-5-oxopentan-2-ylcarbamoyl)pyrrolidin-1-yl)-4-methyl-1-oxopentan-2-ylamino)-4-oxobut-2-en-2-yl)phenyl dihydrogen phosphate::CHEMBL1774959

SMILES: CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O

InChI Key: InChIKey=MSYMDIOCJOFGTP-MWSMYNQTSA-N

Data: 1 KI

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 = 50343636   

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))	BDBM50343636 (4-((E)-4-((S)-1-((S)-2-((R)-5-amino-5-oxopentan-2-...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C26H39N4O8P/c1-16(2)14-21(26(34)30-13-5-6-22(30)25(33)28-18(4)7-12-23(27)31)29-24(32)15-17(3)19-8-10-20(11-9-19)38-39(35,36)37/h8-11,15-16,18,21-22H,5-7,12-14H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)(H2,35,36,37)/b17-15+/t18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair