Compounds in cluster

10 similar compounds to monomer 50258439

Wt: 486.5 BDBM22845 Purchase	Wt: 237.2 BDBM22794 Purchase	Wt: 271.6 BDBM22795 Purchase	Wt: 330.1 BDBM67056	Wt: 251.2 BDBM50133616 Purchase
Wt: 267.2 BDBM50222912 Purchase	Wt: 334.1 BDBM50258528	Wt: 424.4 BDBM50342559 Purchase	Wt: 424.4 BDBM50342574	Wt: 316.1 BDBM50448805 Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 22845,22794,22795,67056,50133616,50222912,50258528,50342559,50342574,50448805
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22845 (1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22845 (1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22845 (1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase 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
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	32	-10.2	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay				J Nat Prod 76: 36-44 (2013) Article DOI: 10.1021/np300628a BindingDB Entry DOI: 10.7270/Q2VX0HWJ
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	870	-8.26	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22845 (1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50342559 (1,1'-(4,6-dimethyl-1,3-phenylene)bis(methylene)dii...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay				Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471
Stanford University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysis				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Noncompetitive/mixed type inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterases (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22845 (1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22795 (1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...) Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
St. Jude Research Hospital					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assay				J Med Chem 61: 4883-4903 (2018) BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM67056 (1-(4-bromobenzyl)-5-methyl-isatin \| 1-[(4-bromophe...) Show SMILES Cc1ccc2N(Cc3ccc(Br)cc3)C(=O)C(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem Lett 27: 4180-4184 (2017) BindingDB Entry DOI: 10.7270/Q20P12G0
Central South University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human))	BDBM50448805 (CHEMBL3128210) Show SMILES Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50448805 (CHEMBL3128210) Show SMILES Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human))	BDBM50448805 (CHEMBL3128210) Show SMILES Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...				J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50342574 (1,1'-(2,5-dimethyl-1,4-phenylene)bis(methylene)dii...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay				Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471
Stanford University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2) (Homo sapiens (Human))	BDBM50342559 (1,1'-(4,6-dimethyl-1,3-phenylene)bis(methylene)dii...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay				Bioorg Med Chem Lett 21: 2692-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.037 BindingDB Entry DOI: 10.7270/Q2CN7471
Stanford University Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein (Homo sapiens (Human))	BDBM50258528 (1-(4-bromobenzyl)-7-fluoroindoline-2,3-dione \| CHE...) Show SMILES Fc1cccc2C(=O)C(=O)N(Cc3ccc(Br)cc3)c12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...				J Med Chem 52: 3445-8 (2009) Article DOI: 10.1021/jm900286j BindingDB Entry DOI: 10.7270/Q23B601Q
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50258528 (1-(4-bromobenzyl)-7-fluoroindoline-2,3-dione \| CHE...) Show SMILES Fc1cccc2C(=O)C(=O)N(Cc3ccc(Br)cc3)c12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.99E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...				J Med Chem 52: 3445-8 (2009) Article DOI: 10.1021/jm900286j BindingDB Entry DOI: 10.7270/Q23B601Q
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measure...				J Med Chem 61: 4883-4903 (2018) BindingDB Entry DOI: 10.7270/Q2SB48BH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50222912 (1-(4-methoxybenzyl)indoline-2,3-dione \| CHEMBL3878...) Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...				J Med Chem 52: 3445-8 (2009) Article DOI: 10.1021/jm900286j BindingDB Entry DOI: 10.7270/Q23B601Q
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50133616 (1-Benzoyl-1H-indole-2,3-dione \| CHEMBL118830) Show SMILES O=C(N1C(=O)C(=O)c2ccccc12)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibitory activity against T. brucei rhodensiense cysteine protease rhodesain				Bioorg Med Chem Lett 13: 3527-30 (2003) Article DOI: 10.1016/s0960-894x(03)00756-x BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
University of Cape Town Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM22794 (1-benzyl-2,3-dihydro-1H-indole-2,3-dione \| Isatin-...) Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O Show InChI	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 384-8 (2014) Article DOI: 10.1016/j.bmcl.2014.11.011 BindingDB Entry DOI: 10.7270/Q24X59D5
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM67056 (1-(4-bromobenzyl)-5-methyl-isatin \| 1-[(4-bromophe...) Show SMILES Cc1ccc2N(Cc3ccc(Br)cc3)C(=O)C(=O)c2c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein (Homo sapiens (Human))	BDBM50222912 (1-(4-methoxybenzyl)indoline-2,3-dione \| CHEMBL3878...) Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...				J Med Chem 52: 3445-8 (2009) Article DOI: 10.1021/jm900286j BindingDB Entry DOI: 10.7270/Q23B601Q
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair