BDBM50072338 3-((S)-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy)-propionic acid methyl ester::CHEMBL300580

SMILES: COC(=O)CCOc1cc2N=C[C@@H]3CCCN3C(=O)c2cc1OC

InChI Key: InChIKey=NARFTINXSTWTEK-NSHDSACASA-N

Data: 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 1 hit for monomerid = 50072338   

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
GTPase HRas (Homo sapiens (Human))	BDBM50072338 (3-((S)-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-ben...) Show SMILES COC(=O)CCOc1cc2N=C[C@@H]3CCCN3C(=O)c2cc1OC |c:10| Show InChI InChI=1S/C17H20N2O5/c1-22-14-8-12-13(9-15(14)24-7-5-16(20)23-2)18-10-11-4-3-6-19(11)17(12)21/h8-11H,3-7H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair