BDBM91726 Carbacylamidophosphate, 2b

SMILES: Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1

InChI Key: InChIKey=KOJBDOPHHPCNEE-UHFFFAOYSA-N

Data: 4 IC50  2 Kd

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 4 hits for monomerid = 91726   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM91726 (Carbacylamidophosphate, 2b) Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+5	3.82E+3	n/a	n/a	n/a	7.4	37
Tarbiat Modares University					Assay Description In-vitro and vivo using AChE and BuChE enzyme.				J Enzyme Inhib Med Chem 24: 566-76 (2009) Article DOI: 10.1080/14756360802316971 BindingDB Entry DOI: 10.7270/Q2VT1QPP
					More data for this Ligand-Target Pair
Butyrylcholinesterase (Mus musculus (Mouse))	BDBM91726 (Carbacylamidophosphate, 2b) Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a
Tarbiat Modares University					Assay Description In-vitro and vivo using AChE and BuChE enzyme.				J Enzyme Inhib Med Chem 24: 566-76 (2009) Article DOI: 10.1080/14756360802316971 BindingDB Entry DOI: 10.7270/Q2VT1QPP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM91726 (Carbacylamidophosphate, 2b) Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tarbiat Modares University					Assay Description In-vitro and vivo using AChE and BuChE enzyme.				J Enzyme Inhib Med Chem 24: 566-76 (2009) Article DOI: 10.1080/14756360802316971 BindingDB Entry DOI: 10.7270/Q2VT1QPP
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM91726 (Carbacylamidophosphate, 2b) Show SMILES Brc1ccc(cc1)C(=O)NP(=O)(N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H21BrN3O4P/c16-14-3-1-13(2-4-14)15(20)17-24(21,18-5-9-22-10-6-18)19-7-11-23-12-8-19/h1-4H,5-12H2,(H,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+6	4.37E+6	n/a	n/a	n/a	7.4	37
Tarbiat Modares University					Assay Description In-vitro and vivo using AChE and BuChE enzyme.				J Enzyme Inhib Med Chem 24: 566-76 (2009) Article DOI: 10.1080/14756360802316971 BindingDB Entry DOI: 10.7270/Q2VT1QPP
					More data for this Ligand-Target Pair