BDBM50067662 CHEMBL405059::Phosphoric acid mono-(4-{(S)-2-acetylamino-2-[(S)-1-((S)-1-dipentylcarbamoyl-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-ethyl}-phenyl) ester

SMILES: CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C

InChI Key: InChIKey=CIABKNUIMXQZSP-MZBJOSPHSA-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 = 50067662   

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))	BDBM50067662 (CHEMBL405059 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Affinity for SH2 domain of src in Sf9 insect cells				J Med Chem 41: 4329-42 (1998) Article DOI: 10.1021/jm9802766 BindingDB Entry DOI: 10.7270/Q2ZW1K2K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50067662 (CHEMBL405059 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CCCCCN(CCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C29H49N4O8P/c1-7-9-11-17-33(18-12-10-8-2)29(37)21(5)30-28(36)26(20(3)4)32-27(35)25(31-22(6)34)19-23-13-15-24(16-14-23)41-42(38,39)40/h13-16,20-21,25-26H,7-12,17-19H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)(H2,38,39,40)/t21-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells				J Med Chem 41: 4329-42 (1998) Article DOI: 10.1021/jm9802766 BindingDB Entry DOI: 10.7270/Q2ZW1K2K
					More data for this Ligand-Target Pair