BDBM50337200 CHEMBL1681829::Methyl 3'-(benzylcarbamoyl)-5'-((S)-2-((S)-2-(4-cyano benzamido)-3-(4-(phosphonooxy)phenyl)propanamido)-4-methylpentanamido)-[1,1'-biphenyl]-3-carboxylate

SMILES: COC(=O)c1cccc(c1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)NCc1ccccc1

InChI Key: InChIKey=IGTKYGFVIRVRDC-ZAQUEYBZSA-N

Data: 1 KI  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 2 hits for monomerid = 50337200   

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))	BDBM50337200 (CHEMBL1681829 | Methyl 3'-(benzylcarbamoyl)-5'-((S...) Show SMILES COC(=O)c1cccc(c1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H44N5O10P/c1-28(2)20-39(50-44(54)40(49-42(52)32-16-12-30(26-46)13-17-32)21-29-14-18-38(19-15-29)60-61(56,57)58)43(53)48-37-24-35(33-10-7-11-34(22-33)45(55)59-3)23-36(25-37)41(51)47-27-31-8-5-4-6-9-31/h4-19,22-25,28,39-40H,20-21,27H2,1-3H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...				Bioorg Med Chem 19: 1823-38 (2011) Article DOI: 10.1016/j.bmc.2010.12.010 BindingDB Entry DOI: 10.7270/Q2HQ4058
					More data for this Ligand-Target Pair
Transcription Factor STAT3 (Mus musculus (mouse))	BDBM50337200 (CHEMBL1681829 | Methyl 3'-(benzylcarbamoyl)-5'-((S...) Show SMILES COC(=O)c1cccc(c1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C45H44N5O10P/c1-28(2)20-39(50-44(54)40(49-42(52)32-16-12-30(26-46)13-17-32)21-29-14-18-38(19-15-29)60-61(56,57)58)43(53)48-37-24-35(33-10-7-11-34(22-33)45(55)59-3)23-36(25-37)41(51)47-27-31-8-5-4-6-9-31/h4-19,22-25,28,39-40H,20-21,27H2,1-3H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of STAT3 dimerization in mouse NIH3T3 cells expressing v-Src assessed as disruption of STAT3-STAT3: DNA complexation in nucleus after 30 m...				Bioorg Med Chem 19: 1823-38 (2011) Article DOI: 10.1016/j.bmc.2010.12.010 BindingDB Entry DOI: 10.7270/Q2HQ4058
					More data for this Ligand-Target Pair