BDBM31083 MLS000107813::SMR000103777::[4-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] acetate::[4-[4,7-dimethyl-1,3-bis(oxidanylidene)-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl]phenyl] ethanoate::acetic acid [4-(1,3-diketo-4,7-dimethyl-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] ester::acetic acid [4-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-octahydro-1H-4,7-epoxyisoindol-2-yl)phenyl] ester::cid_2860584

SMILES: CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1

InChI Key: InChIKey=ICTGIQLILVIHKD-UHFFFAOYSA-N

Data: 7 IC50  3 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 10 hits for monomerid = 31083   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.33E+3	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2S46Q8P
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.62E+3	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KH0KNM
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2ZC817P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25X2795
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2668BMS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2D50KC1
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21V5CDC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2251GJ9
					More data for this Ligand-Target Pair