BDBM50370655 CHEMBL485652

SMILES: Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O

InChI Key: InChIKey=ODSQODTUNULBHF-JGVFFNPUSA-N

Data: 8 KI  3 IC50  5 Kd

PDB links: 10 PDB IDs match this monomer.

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 16 hits for monomerid = 50370655   

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)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	56	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				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 Reverse transcriptase				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant				Antimicrob Agents Chemother 53: 4640-6 (2009) Article DOI: 10.1128/aac.00686-09 BindingDB Entry DOI: 10.7270/Q2MC92VF
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.32E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay usi...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using DNA/DNA Pr...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using RNA/DNA Pr...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse Transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	6.05E+5	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay usi...				Antimicrob Agents Chemother 52: 2035-42 (2008) Article DOI: 10.1128/aac.00083-08 BindingDB Entry DOI: 10.7270/Q2CZ39Z3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HIV-1 reverse transcriptase p66/p51 assessed as inhibition of dTTP inco...				J Med Chem 56: 3959-68 (2013) Article DOI: 10.1021/jm400160s BindingDB Entry DOI: 10.7270/Q26Q2154
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh School of Medicine Curated by ChEMBL					Assay Description Binding affinity to HIV1 reverse transcriptase				Antimicrob Agents Chemother 53: 3715-9 (2009) Article DOI: 10.1128/aac.00392-09 BindingDB Entry DOI: 10.7270/Q2KD21R2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Kagoshima University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase				Antimicrob Agents Chemother 51: 2600-4 (2007) Article DOI: 10.1128/aac.00212-07 BindingDB Entry DOI: 10.7270/Q2XW4NKZ
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50370655 (CHEMBL485652) Show SMILES Cc1cn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C=C2)c(=O)[nH]c1=O |r,c:21| Show InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase				Bioorg Med Chem 15: 5519-28 (2007) Article DOI: 10.1016/j.bmc.2007.05.047 BindingDB Entry DOI: 10.7270/Q20P12S1
					More data for this Ligand-Target Pair