BDBM20201 4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S,2S)-1-carbamoyl-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid::8, Ac-pTyr-Val-Pro-Gln-Thr-NH2

SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O

InChI Key: InChIKey=TWVSZGSRYOCSRK-SQLPDVNDSA-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 = 20201   

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
Transcription Factor STAT3 (Mus musculus (mouse))	BDBM20201 (4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r| Show InChI InChI=1S/C30H46N7O12P/c1-15(2)24(35-28(43)21(33-17(4)39)14-18-7-9-19(10-8-18)49-50(46,47)48)30(45)37-13-5-6-22(37)29(44)34-20(11-12-23(31)40)27(42)36-25(16(3)38)26(32)41/h7-10,15-16,20-22,24-25,38H,5-6,11-14H2,1-4H3,(H2,31,40)(H2,32,41)(H,33,39)(H,34,44)(H,35,43)(H,36,42)(H2,46,47,48)/t16?,20-,21-,22-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	7.5	22
The University of Texas at Houston					Assay Description Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...				J Med Chem 48: 6661-70 (2005) Article DOI: 10.1021/jm050513m BindingDB Entry DOI: 10.7270/Q2TH8JZF
					More data for this Ligand-Target Pair