BDBM50113835 4-Fluoro-benzylamine::4-fluorobenzylamine::CHEMBL12392::Integrase inhibitor, R1{2}

SMILES: NCc1ccc(F)cc1

InChI Key: InChIKey=IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 Kd

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 = 50113835   

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
Serine protease 1 (Homo sapiens (Human))	BDBM50113835 (4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...) Show SMILES NCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50113835 (4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...) Show SMILES NCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	4.27E+5	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against trypsin				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50113835 (4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...) Show SMILES NCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...				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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50113835 (4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...) Show SMILES NCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb					Assay Description Inhibition assay using HIV-1 integrase.				J Comb Chem 12: 84-90 (2010) Article DOI: 10.1021/cc9001026 BindingDB Entry DOI: 10.7270/Q2Q81BNX
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM50113835 (4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...) Show SMILES NCc1ccc(F)cc1 Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmAkea Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...				ACS Med Chem Lett 8: 423-427 (2017) BindingDB Entry DOI: 10.7270/Q2542QV6
					More data for this Ligand-Target Pair