BDBM50068940 (S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-6-hydrazino-heptanedioic acid::CHEMBL172381

SMILES: CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O

InChI Key: InChIKey=WFLUBSNMJBDVLO-LWEDLAQUSA-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 = 50068940   

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
Acyl-CoA:dihydroxyacetonephosphateacyltransferase (Homo sapiens (Human))	BDBM50068940 ((S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O Show InChI InChI=1S/C18H26N4O6/c1-11(23)20-15(10-12-6-3-2-4-7-12)16(24)21-13(17(25)26)8-5-9-14(22-19)18(27)28/h2-4,6-7,13-15,22H,5,8-10,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)(H,27,28)/t13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	556	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from E. coli				Bioorg Med Chem Lett 8: 945-50 (1999) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair
Acyl-CoA:dihydroxyacetonephosphateacyltransferase (Homo sapiens (Human))	BDBM50068940 ((S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(O)=O)C(O)=O Show InChI InChI=1S/C18H26N4O6/c1-11(23)20-15(10-12-6-3-2-4-7-12)16(24)21-13(17(25)26)8-5-9-14(22-19)18(27)28/h2-4,6-7,13-15,22H,5,8-10,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)(H,27,28)/t13-,14?,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from E. coli				Bioorg Med Chem Lett 8: 945-50 (1999) BindingDB Entry DOI: 10.7270/Q23F4NR8
					More data for this Ligand-Target Pair