BDBM43838 4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate::CMLD004038::Glucosamine derivative, 11::MLS000438679::O4-[5-bromanyl-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate::SMR000452728::butanedioic acid O4-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester::cid_16759689::succinic acid O4-[5-bromo-2-cyclopropyl-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester

SMILES: COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1

InChI Key: InChIKey=ZWILRIIIGUBNDA-UHFFFAOYSA-N

Data: 1 KI  7 IC50

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 7 hits for monomerid = 43838   

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
Phosphotransferase (Trypanosoma brucei)	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	-6.17	3.00E+6	n/a	n/a	n/a	n/a	n/a	25
Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique					Assay Description Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...				Chem Biol 9: 839-47 (2002) Article DOI: 10.1016/S1074-5521(02)00169-2 BindingDB Entry DOI: 10.7270/Q2MC8XF1
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.62E+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/Q27M06CD
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.67E+4	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic protease-activating factor 1 (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.20E+4	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BV7F1T
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase (Homo sapiens (Human))	BDBM43838 (4-O-[5-bromo-2-cyclopropyl-3-(4-methoxyphenyl)-7-m...) Show SMILES COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14| Show InChI InChI=1S/C25H24BrNO7/c1-25(34-21(29)11-10-20(28)33-3)23(30)18-13-27(15-6-7-15)19(12-17(18)22(26)24(25)31)14-4-8-16(32-2)9-5-14/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.96E+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 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/Q23T9FN4
					More data for this Ligand-Target Pair