BDBM31879 3-indolepropionic acid::Acid, 7

SMILES: OC(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=GOLXRNDWAUTYKT-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 11 PDB IDs match this monomer. 10 PDB IDs contain this monomer as substructures. 10 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 31879   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM31879 (3-indolepropionic acid | Acid, 7) Show SMILES OC(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynurenine Aminotransferase 1/Glutamine Transaminase K (Homo sapiens (Human))	BDBM31879 (3-indolepropionic acid | Acid, 7) Show SMILES OC(=O)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	7.5	38
Virginia Tech					Assay Description A typical reaction mixture contains kynurenine, alpha-ketobutyrate, PLP and hKAT-I in the presence of test compound. The reaction mixture was incubat...				J Med Chem 52: 2786-93 (2009) Article DOI: 10.1021/jm9000874 BindingDB Entry DOI: 10.7270/Q2GH9G8X
					More data for this Ligand-Target Pair