BDBM50023435 CHEMBL3334644

SMILES: Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1F

InChI Key: InChIKey=TZMBHWGZSZLKAM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50023435   

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
Integrase (Human immunodeficiency virus 1)	BDBM50023435 (CHEMBL3334644) Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-3-1-2-10(13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)9-4-6-11(20)7-5-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay				Bioorg Med Chem 22: 5446-53 (2014) Article DOI: 10.1016/j.bmc.2014.07.036 BindingDB Entry DOI: 10.7270/Q2WM1G02
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50023435 (CHEMBL3334644) Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1F Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-3-1-2-10(13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)9-4-6-11(20)7-5-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays				Bioorg Med Chem 22: 5446-53 (2014) Article DOI: 10.1016/j.bmc.2014.07.036 BindingDB Entry DOI: 10.7270/Q2WM1G02
					More data for this Ligand-Target Pair