BDBM37250 6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)benzo[de]isoquinoline-1,3-dione::6-(azepan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)benzo[de]isoquinoline-1,3-dione::6-(azepan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)benzo[de]isoquinoline-1,3-quinone::MLS000111002::SMR000106931::cid_1347824

SMILES: Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1

InChI Key: InChIKey=DXJLGVQOSRWIHI-UHFFFAOYSA-N

Data: 4 IC50  7 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 11 hits for monomerid = 37250   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.25E+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))	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.70E+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/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.38E+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
POsterior Segregation family member (pos-1) (Caenorhabditis elegans)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.94E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C
					More data for this Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.04E+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: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B856KG
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.55E+4	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 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2S75DSB
					More data for this Ligand-Target Pair
beta-lactamase (Salmonella enterica subsp. enterica serovar Choler...)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.78E+4	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 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NG4P3G
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.96E+4	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 Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HT2MRM
					More data for this Ligand-Target Pair
LANA (Human herpesvirus 8)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM37250 (6-(1-azepanyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ben...) Show SMILES Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1 Show InChI InChI=1S/C23H24N4O2/c1-14-21(15(2)25-24-14)27-22(28)17-9-7-8-16-19(26-12-5-3-4-6-13-26)11-10-18(20(16)17)23(27)29/h7-11H,3-6,12-13H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair