BDBM23300 4-amino-7-chloroquinoline (ACQ)-based compound, 5::7-chloroquinolin-4-amine::CHEMBL44789

SMILES: Nc1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=NDRZSRWMMUGOBP-UHFFFAOYSA-N

Data: 2 IC50  1 Other

PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 23300   

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
Botulinum Neurotoxin Type A (Clostridium botulinum)	BDBM23300 (4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...) Show SMILES Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH) (Homo sapiens (Human))	BDBM23300 (4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...) Show SMILES Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase				Bioorg Med Chem Lett 13: 1691-4 (2003) BindingDB Entry DOI: 10.7270/Q21N83B7
					More data for this Ligand-Target Pair
Histidine-rich protein (Plasmodium falciparum)	BDBM23300 (4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...) Show SMILES Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair