BDBM14321 Fragment 18::quinolin-4-ol

SMILES: Oc1ccnc2ccccc12

InChI Key: InChIKey=PMZDQRJGMBOQBF-UHFFFAOYSA-N

Data: 2 KI  1 IC50

PDB links: 3 PDB IDs match this monomer. 9 PDB IDs contain this monomer as substructures. 10 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 = 14321   

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 (Homo sapiens (Human))	BDBM14321 (Fragment 18 | quinolin-4-ol) Show SMILES Oc1ccnc2ccccc12 Show InChI InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG 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
Trypsin (Bos taurus (bovine))	BDBM14321 (Fragment 18 | quinolin-4-ol) Show SMILES Oc1ccnc2ccccc12 Show InChI InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG 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
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM14321 (Fragment 18 | quinolin-4-ol) Show SMILES Oc1ccnc2ccccc12 Show InChI InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist				Eur J Med Chem 136: 480-486 (2017) Article DOI: 10.1016/j.ejmech.2017.05.015 BindingDB Entry DOI: 10.7270/Q20Z75S9
					More data for this Ligand-Target Pair