BDBM50331044 (4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-6,10-dioxo-1,2-dithia-5,9-diazacyclotridecane-4-carboxamide::CHEMBL1277718

SMILES: N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=HDKPJLJQBLITCN-JBACZVJFSA-N

Data: 4 KI

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 4 hits for monomerid = 50331044   

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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331044 ((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331044 ((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331044 ((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50331044 ((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair