BDBM20246 4-[(2S)-2-{[(1S)-1-{[(6S,9S,12S)-12-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-9-[(1R)-1-hydroxyethyl]-7,10-dioxo-1,8,11,15,16-pentaazabicyclo[12.2.1]heptadeca-14(17),15-dien-6-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid::macrocyclic peptidomimetic 2

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2

InChI Key: InChIKey=QUZVBUDMRIGETL-KVQFECIGSA-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 = 20246   

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))	BDBM20246 (4-[(2S)-2-{[(1S)-1-{[(6S,9S,12S)-12-{[(1S)-1-carba...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2 |r| Show InChI InChI=1S/C41H57N10O12P/c1-23(2)18-32(46-39(57)33(43-25(4)53)20-27-13-15-29(16-14-27)63-64(60,61)62)38(56)44-30-12-8-9-17-51-22-28(49-50-51)21-34(47-41(59)35(24(3)52)48-37(30)55)40(58)45-31(36(42)54)19-26-10-6-5-7-11-26/h5-7,10-11,13-16,22-24,30-35,52H,8-9,12,17-21H2,1-4H3,(H2,42,54)(H,43,53)(H,44,56)(H,45,58)(H,46,57)(H,47,59)(H,48,55)(H2,60,61,62)/t24?,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7.30E+3	-6.93	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...				Bioorg Med Chem Lett 17: 3939-42 (2007) Article DOI: 10.1016/j.bmcl.2007.04.096 BindingDB Entry DOI: 10.7270/Q2PR7T8K
					More data for this Ligand-Target Pair