BDBM10443 2-methylquinolin-4-amine::4-Aminoquinaldine 4

SMILES: Cc1cc(N)c2ccccc2n1

InChI Key: InChIKey=COCFIBRMFPWUDW-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer. 19 PDB IDs contain this monomer as substructures. 19 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 5 hits for monomerid = 10443   

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
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				Bioorg Med Chem 7: 2569-75 (1999) Article DOI: 10.1016/s0968-0896(99)00178-9 BindingDB Entry DOI: 10.7270/Q22N50GZ
					More data for this Ligand-Target Pair
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	5.21E+5	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cel...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	7.4	37
Hong Kong University of Science and Technology					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				Bioorg Med Chem 7: 2569-75 (1999) Article DOI: 10.1016/s0968-0896(99)00178-9 BindingDB Entry DOI: 10.7270/Q22N50GZ
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair