BDBM50080177 (S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-4-((1S,2S)-1-carbamoyl-2-methyl-butylcarbamoyl)-butyric acid::Ac-pY-E-E-I-NH2::CHEMBL311937

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

InChI Key: InChIKey=AXCUYEJNXUJBEN-ZHAMKKIJSA-N

Data: 4 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 4 hits for monomerid = 50080177   

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))	BDBM50080177 ((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/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	6.00E+3	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))	BDBM50080177 ((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay				J Med Chem 45: 2379-87 (2002) BindingDB Entry DOI: 10.7270/Q21J992G
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080177 ((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/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	6.00E+3	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50080177 ((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/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	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay				J Med Chem 45: 2379-87 (2002) BindingDB Entry DOI: 10.7270/Q21J992G
					More data for this Ligand-Target Pair