BDBM50080173 (S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-(4-cyclohexylmethyl-thiazol-2-yl)-butyric acid::CHEMBL73829

SMILES: CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1

InChI Key: InChIKey=GYFDJQPDNGJSNV-VXKWHMMOSA-N

Data: 2 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 = 50080173   

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))	BDBM50080173 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/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	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of binding to Src SH2 domain				Bioorg Med Chem Lett 9: 2353-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9QZ5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080173 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1 Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/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	2.60E+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
					More data for this Ligand-Target Pair