BDBM50080186 CHEMBL77702::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-(5-hexyl-thiazol-2-yl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCCCCc1cnc(s1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

InChI Key: InChIKey=JOMYGHSZNBWZSV-NSOVKSMOSA-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 = 50080186   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080186 (CHEMBL77702 | Phosphoric acid mono-(4-{(S)-2-acety...) Show SMILES CCCCCCc1cnc(s1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C30H37N4O6PS/c1-3-4-5-6-9-24-19-32-30(42-24)28(17-22-18-31-26-11-8-7-10-25(22)26)34-29(36)27(33-20(2)35)16-21-12-14-23(15-13-21)40-41(37,38)39/h7-8,10-15,18-19,27-28,31H,3-6,9,16-17H2,1-2H3,(H,33,35)(H,34,36)(H2,37,38,39)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against Src-homology 2 (SRC SH2).				Bioorg Med Chem Lett 9: 2359-64 (1999) BindingDB Entry DOI: 10.7270/Q2G73CX5
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