Found 3 hits for monomerid = 50369418 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) | BDBM50369418
(CHEMBL58711 | R-87027)Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Western Maryland College
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 reverse transcriptase. |
J Med Chem 41: 5272-86 (1999)
Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50369418
(CHEMBL58711 | R-87027)Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to Human immunodeficiency virus 1 reverse transcriptase |
Citation and Details
Article DOI: 10.1007/s00044-011-9742-x BindingDB Entry DOI: 10.7270/Q2CV4MN4 |
More data for this Ligand-Target Pair | |
Human immunodeficiency virus type 1 reverse transcriptase
(Human immunodeficiency virus 1) | BDBM50369418
(CHEMBL58711 | R-87027)Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Effective concentration against HIV-1 reverse transcriptase |
J Med Chem 42: 868-81 (1999)
Article DOI: 10.1021/jm980277y BindingDB Entry DOI: 10.7270/Q2TB17KD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |