SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.5 BDBM21639	Wt: 408.5 BDBM21652	Wt: 408.5 BDBM21653	Wt: 408.5 BDBM21654	Wt: 408.5 BDBM21655
Wt: 408.5 BDBM92503	Wt: 408.5 BDBM50115842

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 22 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Neutral endopeptidase.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	-54.4	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
CNRS					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50115842 (2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Neutral endopeptidase.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-51.9	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
CNRS					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21654 ((2S)-2-[(2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-51.5	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
CNRS					More data for this Ligand-Target Pair
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92503 ((2S)-2-[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-3-sulfa...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
Pharmaleads					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21654 ((2S)-2-[(2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	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
CNRS					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21652 ((2S)-2-[(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-47.5	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
CNRS					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50115842 (2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	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
CNRS					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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
CNRS					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM21655 ((2S)-2-[(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	-44.9	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
CNRS					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21652 ((2S)-2-[(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	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
CNRS					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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
CNRS					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21653 ((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21639 ((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	100	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
CNRS					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50115842 (2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of endothelin converting enzyme.				Bioorg Med Chem Lett 12: 2001-5 (2002) BindingDB Entry DOI: 10.7270/Q27080S4
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM21655 ((2S)-2-[(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	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
CNRS					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21654 ((2S)-2-[(2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	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
CNRS					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21655 ((2S)-2-[(2R)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	680	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
CNRS					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM21652 ((2S)-2-[(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	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
CNRS					More data for this Ligand-Target Pair