BindingDB PrimarySearch

null

SMILES: [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2

InChI Key: InChIKey=RHWKPHLQXYSBKR-BMIGLBTASA-N

PDB links: 16 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 50062551
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
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
TBA					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114038 BindingDB Entry DOI: 10.7270/Q2K35ZJK
TBA					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer				Eur J Med Chem 90: 797-808 (2015) Article DOI: 10.1016/j.ejmech.2014.12.018 BindingDB Entry DOI: 10.7270/Q2K64KQX
University of Trieste Curated by ChEMBL					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114091 BindingDB Entry DOI: 10.7270/Q24J0K46
TBA					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Vesicular acetylcholine transporter (Rattus norvegicus)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQOG, CSIC Curated by ChEMBL					Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method				J Med Chem 61: 6937-6943 (2018) Article DOI: 10.1021/acs.jmedchem.8b00848 BindingDB Entry DOI: 10.7270/Q2QN699Q
IQOG, CSIC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with NADPH prior to ini...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with NADPH prior to initiat...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with NADPH prior to initiati...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with NADPH prior to initia...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with substrate prior to initiation of reactio...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with substrate prior to initiation of reaction w...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with substrate prior to initiation of react...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with substrate prior to initiation of reacti...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with substrate prior to initiation of reaction w...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with substrate prior to initiation of reaction wi...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [3H]digoxin after 90 mins by liquid scint...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [14C]cimetidine after 90 mins by liquid s...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human MRP2 expressed in baculovirus-infected Sf9 cell membrane vesicle using [3H]estradiol 17beta-D-glucuronide as substrate preincubat...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human OATP1B1 expressed in CHO cells using [3H]estradiol 17beta-D-glucuronide as substrate by liquid scintillation counting analysis				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human OATP1B3 expressed in BacMam baculovirus virus infected HEK MSR2 cells using [3H]estradiol 17beta-D-glucuronide as substrate by li...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human OCT2 expressed in MDCK2 cells using [14C]metformin as substrate by liquid scintillation counting analysis				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity using 5'-biotin/3'-Cy5-labeled DNA substrate preincubated for 5 mins followed by substrate addit...				Eur J Med Chem 156: 652-665 (2018) Article DOI: 10.1016/j.ejmech.2018.07.039 BindingDB Entry DOI: 10.7270/Q20C4ZFB
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNaseH activity using 3'-fluorescein/5'-Dabcyl labeled HTS-1 substrate				Eur J Med Chem 156: 652-665 (2018) Article DOI: 10.1016/j.ejmech.2018.07.039 BindingDB Entry DOI: 10.7270/Q20C4ZFB
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research & Development Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...				J Med Chem 56: 5901-16 (2013) Article DOI: 10.1021/jm400645w BindingDB Entry DOI: 10.7270/Q21G0Q64
GlaxoSmithKline Research & Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HIV integrase strand transfer activity				Bioorg Med Chem 27: 3836-3845 (2019) Article DOI: 10.1016/j.bmc.2019.07.011 BindingDB Entry DOI: 10.7270/Q2ZW1QBT
Shandong University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase RNase H expressed in Escherichia coli JM109 using RNA/DNA duplex substrate HTS-1				Eur J Med Chem 166: 390-399 (2019) Article DOI: 10.1016/j.ejmech.2019.01.081 BindingDB Entry DOI: 10.7270/Q2FJ2M7H
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity using 5'-biotinylated oligonucleotide as substrate preincubated for 10 mins followed by substra...				Eur J Med Chem 166: 390-399 (2019) Article DOI: 10.1016/j.ejmech.2019.01.081 BindingDB Entry DOI: 10.7270/Q2FJ2M7H
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of RNase H activity of full length HIV1 reverse transcriptase using RNA-DNA duplex HTS-1 substrate				J Med Chem 59: 6136-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00040 BindingDB Entry DOI: 10.7270/Q24T6NVG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase expressed in Escherichia coli using [32P]-labeled oligonucleotide as substrate after 60 mins by strand trans...				J Med Chem 59: 6136-48 (2016) Article DOI: 10.1021/acs.jmedchem.6b00040 BindingDB Entry DOI: 10.7270/Q24T6NVG
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of HIV-1 NL4-3 integrase E92Q/N155H double mutant				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111566 BindingDB Entry DOI: 10.7270/Q2SN0DDN
Wuhan University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 2)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of wild type HIV-2 ROD9 integrase				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111566 BindingDB Entry DOI: 10.7270/Q2SN0DDN
Wuhan University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of HIV-1 NL4-3 integrase T97A/Y143C double mutant				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111566 BindingDB Entry DOI: 10.7270/Q2SN0DDN
Wuhan University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of HIV-1 NL4-3 integrase G140S/Q148R double mutant				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111566 BindingDB Entry DOI: 10.7270/Q2SN0DDN
Wuhan University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrase (Human immunodeficiency virus 1)	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of wild type HIV-1 NL4-3 integrase				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111566 BindingDB Entry DOI: 10.7270/Q2SN0DDN
Wuhan University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with NADPH prior to initia...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with NADPH prior to in...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with NADPH prior to initiat...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with NADPH prior to init...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with NADPH prior to initia...				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-glucuronosyltransferase 1A1 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant UGT1A1 expressed in supersomes assessed as scopoletin glucuronidation by fluorescence analysis				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human MDR1				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human MRP2				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 \| Dolutegravir \| GSK1349572 \| S-349572) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human BCRP				Drug Metab Dispos 41: 353-61 (2013) Article DOI: 10.1124/dmd.112.048918 BindingDB Entry DOI: 10.7270/Q20003TM
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair