BDBM50523373 CHEMBL4552440

SMILES: Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=QFAMIFGKRGUSHP-IFUPQEAVSA-N

Data: 3 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 3 hits for monomerid = 50523373   

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
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM50523373 (CHEMBL4552440) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H32ClN5O.2ClH/c29-19-11-12-22-26(16-19)34-25-10-4-2-8-21(25)27(22)31-13-5-6-14-32-28(35)23(30)15-18-17-33-24-9-3-1-7-20(18)24;;/h1,3,7,9,11-12,16-17,23,33H,2,4-6,8,10,13-15,30H2,(H,31,34)(H,32,35);2*1H/t23-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50523373 (CHEMBL4552440) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H32ClN5O.2ClH/c29-19-11-12-22-26(16-19)34-25-10-4-2-8-21(25)27(22)31-13-5-6-14-32-28(35)23(30)15-18-17-33-24-9-3-1-7-20(18)24;;/h1,3,7,9,11-12,16-17,23,33H,2,4-6,8,10,13-15,30H2,(H,31,34)(H,32,35);2*1H/t23-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523373 (CHEMBL4552440) Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H32ClN5O.2ClH/c29-19-11-12-22-26(16-19)34-25-10-4-2-8-21(25)27(22)31-13-5-6-14-32-28(35)23(30)15-18-17-33-24-9-3-1-7-20(18)24;;/h1,3,7,9,11-12,16-17,23,33H,2,4-6,8,10,13-15,30H2,(H,31,34)(H,32,35);2*1H/t23-;;/m0../s1	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	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair