BDBM50258439 1-(4-bromobenzyl)indoline-2,3-dione::CHEMBL523685::LOR-NEU-c8f11034-5::VU0119498::cid_3008304

SMILES: Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=DELLOEULSHGYCG-UHFFFAOYSA-N

Data: 2 IC50  17 EC50

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 19 hits for monomerid = 50258439   

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
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.04E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2K64GH0
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	1.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...				bioRxiv 2021: (2021)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Activation of human muscarinic M3 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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.08E+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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization				Bioorg Med Chem Lett 20: 558-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.089 BindingDB Entry DOI: 10.7270/Q2PK0G7M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem 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 Agonist activity at rat muscarinic M2 expressed in CHO cells assessed as stimulation of calcium mobilization				Bioorg Med Chem Lett 20: 558-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.089 BindingDB Entry DOI: 10.7270/Q2PK0G7M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M3 expressed in CHO cells assessed as stimulation of calcium mobilization				Bioorg Med Chem Lett 20: 558-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.089 BindingDB Entry DOI: 10.7270/Q2PK0G7M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem 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 Agonist activity at rat muscarinic M4 expressed in CHO cells assessed as stimulation of calcium mobilization				Bioorg Med Chem Lett 20: 558-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.089 BindingDB Entry DOI: 10.7270/Q2PK0G7M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization				Bioorg Med Chem Lett 20: 558-62 (2010) Article DOI: 10.1016/j.bmcl.2009.11.089 BindingDB Entry DOI: 10.7270/Q2PK0G7M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mob...				Bioorg Med Chem Lett 20: 5617-22 (2010) Article DOI: 10.1016/j.bmcl.2010.08.042 BindingDB Entry DOI: 10.7270/Q2CR5TK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem 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 Positive allosteric modulation of muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as effect on acetylcholine-induced intrac...				Bioorg Med Chem Lett 20: 5617-22 (2010) Article DOI: 10.1016/j.bmcl.2010.08.042 BindingDB Entry DOI: 10.7270/Q2CR5TK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of muscarinic M3 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mob...				Bioorg Med Chem Lett 20: 5617-22 (2010) Article DOI: 10.1016/j.bmcl.2010.08.042 BindingDB Entry DOI: 10.7270/Q2CR5TK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem 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 Positive allosteric modulation of muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as effect on acetylcholine-induced intrac...				Bioorg Med Chem Lett 20: 5617-22 (2010) Article DOI: 10.1016/j.bmcl.2010.08.042 BindingDB Entry DOI: 10.7270/Q2CR5TK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of muscarinic M5 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mob...				Bioorg Med Chem Lett 20: 5617-22 (2010) Article DOI: 10.1016/j.bmcl.2010.08.042 BindingDB Entry DOI: 10.7270/Q2CR5TK2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at muscarinic M5 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at muscarinic M1 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at muscarinic M3 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	747	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...				bioRxiv 2021: (2021)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50258439 (1-(4-bromobenzyl)indoline-2,3-dione | CHEMBL523685...) Show SMILES Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.04E+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
					More data for this Ligand-Target Pair