BDBM21637 (2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-2-yl)-2-(sulfanylmethyl)butanamido]propanoic acid::Mercaptoacyl amino acid compound, (rac)-11

SMILES: CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc2ccccc2c1

InChI Key: InChIKey=HJQAHFSQODKSPR-KQHMIALTSA-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 = 21637   

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))	BDBM21637 ((2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-2-yl)-2-(s...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H26N2O3S/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)22(15-32)25(29)28-24(26(30)31)13-20-14-27-23-9-5-4-8-21(20)23/h2-12,14,16,22,24,27,32H,13,15H2,1H3,(H,28,29)(H,30,31)/t16?,22?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	-11.7	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)	BDBM21637 ((2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-2-yl)-2-(s...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H26N2O3S/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)22(15-32)25(29)28-24(26(30)31)13-20-14-27-23-9-5-4-8-21(20)23/h2-12,14,16,22,24,27,32H,13,15H2,1H3,(H,28,29)(H,30,31)/t16?,22?,24-/m0/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	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))	BDBM21637 ((2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-2-yl)-2-(s...) Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H26N2O3S/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)22(15-32)25(29)28-24(26(30)31)13-20-14-27-23-9-5-4-8-21(20)23/h2-12,14,16,22,24,27,32H,13,15H2,1H3,(H,28,29)(H,30,31)/t16?,22?,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	980	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