BDBM50001949 2-(2,6-Diamino-hexanoylamino)-3-[2-(2-nitro-phenylsulfanyl)-1H-indol-3-yl]-propionic acid methyl ester::CHEMBL178014

SMILES: COC(=O)[C@H](Cc1c(Sc2ccccc2[N+]([O-])=O)[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN

InChI Key: InChIKey=OXBQOLKKTGIDKA-HKUYNNGSSA-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 = 50001949   

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
Aminopeptidase N (Rattus norvegicus)	BDBM50001949 (2-(2,6-Diamino-hexanoylamino)-3-[2-(2-nitro-phenyl...) Show SMILES COC(=O)[C@H](Cc1c(Sc2ccccc2[N+]([O-])=O)[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN Show InChI InChI=1S/C24H29N5O5S/c1-34-24(31)19(27-22(30)17(26)9-6-7-13-25)14-16-15-8-2-3-10-18(15)28-23(16)35-21-12-5-4-11-20(21)29(32)33/h2-5,8,10-12,17,19,28H,6-7,9,13-14,25-26H2,1H3,(H,27,30)/t17-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate				J Med Chem 35: 889-95 (1992) BindingDB Entry DOI: 10.7270/Q2X92BWN
					More data for this Ligand-Target Pair
Aminopeptidase B (Rattus norvegicus)	BDBM50001949 (2-(2,6-Diamino-hexanoylamino)-3-[2-(2-nitro-phenyl...) Show SMILES COC(=O)[C@H](Cc1c(Sc2ccccc2[N+]([O-])=O)[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN Show InChI InChI=1S/C24H29N5O5S/c1-34-24(31)19(27-22(30)17(26)9-6-7-13-25)14-16-15-8-2-3-10-18(15)28-23(16)35-21-12-5-4-11-20(21)29(32)33/h2-5,8,10-12,17,19,28H,6-7,9,13-14,25-26H2,1H3,(H,27,30)/t17-,19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase B using L-lysine-beta napthylamide as subs...				J Med Chem 35: 889-95 (1992) BindingDB Entry DOI: 10.7270/Q2X92BWN
					More data for this Ligand-Target Pair