BDBM36503 (S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic acid, 4::CID6932064

SMILES: OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1

InChI Key: InChIKey=BSOYWTITVKXHLM-HNNXBMFYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches 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 = 36503   

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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM36503 ((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...) Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	>5.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of FPPS (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM36503 ((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...) Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
					More data for this Ligand-Target Pair				3D Structure (crystal)