BindingDB PrimarySearch

BDBM50366816 ABACAVIR::Epzicom::Ziagen

SMILES: Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1

InChI Key: InChIKey=MCGSCOLBFJQGHM-SCZZXKLOSA-N

Data: 4 IC50 1 Kd 2 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50366816
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
Serum albumin (Homo sapiens (Human))	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a
Mercer University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis				Bioorg Med Chem Lett 25: 3168-71 (2015) BindingDB Entry DOI: 10.7270/Q21N82W0
Mercer University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a
The University of Georgia Curated by ChEMBL					Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant				Bioorg Med Chem Lett 13: 1993-6 (2003) BindingDB Entry DOI: 10.7270/Q2639Q86
The University of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
The University of Georgia Curated by ChEMBL					Assay Description In vitro antiviral activity against HIV-1 Reverse transcriptase wild type				Bioorg Med Chem Lett 13: 1993-6 (2003) BindingDB Entry DOI: 10.7270/Q2639Q86
The University of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometry				Medchemcomm 4: (2013) Article DOI: 10.1039/c3md00196b BindingDB Entry DOI: 10.7270/Q2VQ35MW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of calcein-AM efflux after 30 mins by flow cytometry				Medchemcomm 4: (2013) Article DOI: 10.1039/c3md00196b BindingDB Entry DOI: 10.7270/Q2VQ35MW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Science, Inc Curated by ChEMBL					Assay Description Inhibition on HIV1 reverse transcriptase p66/p51				Bioorg Med Chem 17: 1739-46 (2009) Article DOI: 10.1016/j.bmc.2008.12.028 BindingDB Entry DOI: 10.7270/Q21Z4774
Gilead Science, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50366816 (ABACAVIR \| Epzicom \| Ziagen) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of P-gp in human CMEC/D3 cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometry				Medchemcomm 4: (2013) Article DOI: 10.1039/c3md00196b BindingDB Entry DOI: 10.7270/Q2VQ35MW
Purdue University Curated by ChEMBL					More data for this Ligand-Target Pair