null

SMILES: Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N

InChI Key: InChIKey=XDNJNMGRILDNGX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50482297   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482297 (CHEMBL1169982) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H26BrClN6O2/c1-15-9-17(12-29)10-16(2)23(15)36-25-21(27)13-31-26(33-25)32-20-5-7-34(8-6-20)14-19-4-3-18(24(30)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482297 (CHEMBL1169982) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H26BrClN6O2/c1-15-9-17(12-29)10-16(2)23(15)36-25-21(27)13-31-26(33-25)32-20-5-7-34(8-6-20)14-19-4-3-18(24(30)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50482297 (CHEMBL1169982) Show SMILES Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3Cl)C(N)=O)CC2)ncc1Br)C#N Show InChI InChI=1S/C26H26BrClN6O2/c1-15-9-17(12-29)10-16(2)23(15)36-25-21(27)13-31-26(33-25)32-20-5-7-34(8-6-20)14-19-4-3-18(24(30)35)11-22(19)28/h3-4,9-11,13,20H,5-8,14H2,1-2H3,(H2,30,35)(H,31,32,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 4215-8 (2010) Article DOI: 10.1016/j.bmcl.2010.05.040 BindingDB Entry DOI: 10.7270/Q21Z478K
					More data for this Ligand-Target Pair