BindingDB PrimarySearch

BDBM188497 2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl)-2-(tert-butoxy)acetic acid::ALLINI-2

SMILES: Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O

InChI Key: InChIKey=UXIVWMINNPGARX-UHFFFAOYSA-N

Data: 8 IC50 2 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 188497
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Gag-Pol polyprotein (Capsid Protein) (Human immunodeficiency virus type 1 group M subtyp...)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
The Ohio State University					More data for this Ligand-Target Pair
HIV-1 integrase (IN) A128T (Human immunodeficiency virus 1 (Virus))	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
The Ohio State University					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Capsid Protein) (Human immunodeficiency virus type 1 group M subtyp...)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
The Ohio State University					More data for this Ligand-Target Pair
HIV-1 integrase (IN) A128T (Human immunodeficiency virus 1 (Virus))	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University					Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ...				J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6
The Ohio State University					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	146	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Induction of HIV1 His/FLAG-tagged integrase hyper-multimerization expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-dependant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of biotinylated-TAR-RNA binding to HIV1 His6-tagged integrase expressed in Escherichia coli BL21(DE3) preincubated for 2 hrs followed by R...				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75 binding to HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay				ACS Med Chem Lett 10: 215-220 (2019) Article DOI: 10.1021/acsmedchemlett.8b00633
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM188497 (2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-y...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
University of Southern Mississippi Curated by ChEMBL					Assay Description Inhibition of N-terminal His/flag-tagged HIV1 integrase expressed in Escherichia coli BL21 (DE3) incubated for 2.5 hrs by HTRF assay				ACS Med Chem Lett 9: 1007-1012 (2018) Article DOI: 10.1021/acsmedchemlett.8b00269 BindingDB Entry DOI: 10.7270/Q2PC352Q
University of Southern Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)