BDBM14323 Fragment 20::quinazoline-2,4-diamine

SMILES: Nc1nc(N)c2ccccc2n1

InChI Key: InChIKey=XELRMPRLCPFTBH-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 2 PDB IDs match this monomer. 12 PDB IDs contain this monomer as substructures. 12 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 4 hits for monomerid = 14323   

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
Tryptase beta-2 (Homo sapiens (Human))	BDBM14323 (Fragment 20 | quinazoline-2,4-diamine) Show SMILES Nc1nc(N)c2ccccc2n1 Show InChI InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM14323 (Fragment 20 | quinazoline-2,4-diamine) Show SMILES Nc1nc(N)c2ccccc2n1 Show InChI InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM14323 (Fragment 20 | quinazoline-2,4-diamine) Show SMILES Nc1nc(N)c2ccccc2n1 Show InChI InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase of rat liver				J Med Chem 24: 812-8 (1981) BindingDB Entry DOI: 10.7270/Q2P84D3D
					More data for this Ligand-Target Pair
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM14323 (Fragment 20 | quinazoline-2,4-diamine) Show SMILES Nc1nc(N)c2ccccc2n1 Show InChI InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required for the inhibition of acetylcholinesterase				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair