Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50561917'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50561917 (CHEMBL4789939) Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(/NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12 |r,wU:27.30,wD:24.23,t:43,46,(47.96,-8.38,;49.3,-9.15,;50.63,-8.38,;50.63,-6.84,;51.96,-9.15,;53.3,-8.38,;54.63,-9.15,;55.96,-8.38,;55.96,-6.84,;57.3,-9.15,;58.63,-8.38,;59.97,-9.15,;61.3,-8.38,;62.63,-9.15,;63.97,-8.38,;65.3,-9.15,;65.3,-10.69,;66.63,-8.38,;67.97,-9.15,;69.3,-8.38,;70.64,-9.15,;70.64,-10.69,;71.97,-8.38,;73.3,-9.15,;74.64,-8.38,;75.97,-9.15,;77.3,-8.39,;77.31,-6.85,;75.97,-6.07,;74.63,-6.84,;78.64,-6.08,;79.97,-6.86,;79.97,-8.4,;81.3,-9.17,;81.28,-10.71,;82.61,-11.49,;83.95,-10.73,;83.96,-9.19,;82.63,-8.4,;81.31,-6.09,;82.64,-6.87,;83.98,-6.1,;85.38,-6.74,;86.41,-5.6,;85.65,-4.26,;85.82,-2.73,;84.41,-2.09,;83.32,-1,;84.81,-.59,;83.38,-3.24,;84.14,-4.57,)| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 min...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00444 BindingDB Entry DOI: 10.7270/Q2M04947
					More data for this Ligand-Target Pair