BDBM23398 (2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-en-1-one::CHEMBL368084::S-1360

SMILES: Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1

InChI Key: InChIKey=RQQWCYPROZEXIC-UHFFFAOYSA-N

Data: 4 IC50

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 = 23398   

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
HIV-1 Integrase (Human immunodeficiency virus type 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.3	22
Gilead Sciences Inc.					Assay Description In the 3-end joining assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow process...				J Mol Biol 380: 504-19 (2008) Article DOI: 10.1016/j.jmb.2008.04.054 BindingDB Entry DOI: 10.7270/Q2707ZQF
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase				J Med Chem 48: 1297-313 (2005) Article DOI: 10.1021/jm040158k BindingDB Entry DOI: 10.7270/Q2GT5MPJ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM23398 ((2Z)-1-{5-[(4-fluorophenyl)methyl]furan-2-yl}-3-hy...) Show SMILES Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,9H,7-8H2,(H,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase				J Med Chem 48: 111-20 (2005) Article DOI: 10.1021/jm0496077 BindingDB Entry DOI: 10.7270/Q28S4PD6
					More data for this Ligand-Target Pair