BDBM50145605 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one::CHEMBL853::DDC::DDCYD::Dideoxycytidine::ZALCITABINE

SMILES: Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1

InChI Key: InChIKey=WREGKURFCTUGRC-POYBYMJQSA-N

Data: 3 KI  4 IC50  1 Kd  2 EC50

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 10 hits for monomerid = 50145605   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biota, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against HIV-1 reverse transcriptase				J Med Chem 48: 2695-700 (2005) Article DOI: 10.1021/jm040101y BindingDB Entry DOI: 10.7270/Q2G73FG5
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan Cancer Foundation Curated by ChEMBL					Assay Description Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.				J Med Chem 33: 258-63 (1990) BindingDB Entry DOI: 10.7270/Q2P26ZQS
					More data for this Ligand-Target Pair				3D Structure (docked)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank PubMed	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Michigan Cancer Foundation Curated by ChEMBL					Assay Description Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase in two references.				J Med Chem 33: 258-63 (1990) BindingDB Entry DOI: 10.7270/Q2P26ZQS
					More data for this Ligand-Target Pair				3D Structure (docked)
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay				Bioorg Med Chem Lett 11: 1897-902 (2001) BindingDB Entry DOI: 10.7270/Q25X29FS
					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents 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
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50145605 (4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...) Show SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 |r| Show InChI InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
UMR 176 CNRS/Institut Curie Curated by ChEMBL					Assay Description Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.				J Med Chem 43: 1927-39 (2000) BindingDB Entry DOI: 10.7270/Q2WS8VFT
					More data for this Ligand-Target Pair