BDBM21657 (2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamido]propanoic acid::Mercaptoacyl amino acid compound, 14b

SMILES: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12

InChI Key: InChIKey=NEVHGNNWXYABCA-VWPQPMDRSA-N

Data: 3 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 3 hits for monomerid = 21657   

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
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21657 ((2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-12.1	n/a	n/a	n/a	n/a	n/a	7.4	37
CNRS					Assay Description NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Angiotensin-Converting Enzyme (Rattus norvegicus)	BDBM21657 ((2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Specific activity of ACE was assayed in black 96-well microplates with or without various concentrations of inhibitors. N-Cbz-Phe-His-Leu was added, ...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human))	BDBM21657 ((2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...				J Med Chem 45: 1477-86 (2002) Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1
					More data for this Ligand-Target Pair