BDBM21632 (2S)-3-(1H-indol-3-yl)-2-[2-(3-phenylphenyl)-3-sulfanylpropanamido]propanoic acid::Mercaptoacyl amino acid compound, (rac)-6::racemic mixture

SMILES: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=FCBRDLHNEHOMLV-GITCGBDTSA-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 = 21632   

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))	BDBM21632 ((2S)-3-(1H-indol-3-yl)-2-[2-(3-phenylphenyl)-3-sul...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-10-6-9-18(13-19)17-7-2-1-3-8-17)28-24(26(30)31)14-20-15-27-23-12-5-4-11-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)/t22?,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	-10.6	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)	BDBM21632 ((2S)-3-(1H-indol-3-yl)-2-[2-(3-phenylphenyl)-3-sul...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-10-6-9-18(13-19)17-7-2-1-3-8-17)28-24(26(30)31)14-20-15-27-23-12-5-4-11-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)/t22?,24-/m0/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	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))	BDBM21632 ((2S)-3-(1H-indol-3-yl)-2-[2-(3-phenylphenyl)-3-sul...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-10-6-9-18(13-19)17-7-2-1-3-8-17)28-24(26(30)31)14-20-15-27-23-12-5-4-11-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)/t22?,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	900	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