BDBM50509701 CHEMBL4592037

SMILES: Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1

InChI Key: InChIKey=LCNLCVGYIKOJAW-FDAWAROLSA-N

Data: 5 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 5 hits for monomerid = 50509701   

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 (Electrophorus electricus (Electric eel))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509701 (CHEMBL4592037) Show SMILES Cl.Cc1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-21-10-14-24(15-11-21)36-19-23(33-35-36)20-37-25-16-12-22(13-17-25)18-31-34-30-26-6-2-4-8-28(26)32-29-9-5-3-7-27(29)30/h2,4,6,8,10-19H,3,5,7,9,20H2,1H3,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair