BDBM50482824 CHEMBL1258931

SMILES: Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)n1)C#N

InChI Key: InChIKey=MYCUZCCPKYVWHO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50482824   

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)	BDBM50482824 (CHEMBL1258931) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)n1)C#N Show InChI InChI=1S/C25H27N5O3S/c1-17-13-19(16-26)14-18(2)24(17)33-23-7-10-27-25(29-23)28-20-8-11-30(12-9-20)21-5-4-6-22(15-21)34(3,31)32/h4-7,10,13-15,20H,8-9,11-12H2,1-3H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center China Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 6020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.068 BindingDB Entry DOI: 10.7270/Q2T72M88
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50482824 (CHEMBL1258931) Show SMILES Cc1cc(cc(C)c1Oc1ccnc(NC2CCN(CC2)c2cccc(c2)S(C)(=O)=O)n1)C#N Show InChI InChI=1S/C25H27N5O3S/c1-17-13-19(16-26)14-18(2)24(17)33-23-7-10-27-25(29-23)28-20-8-11-30(12-9-20)21-5-4-6-22(15-21)34(3,31)32/h4-7,10,13-15,20H,8-9,11-12H2,1-3H3,(H,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Roche R&D Center China Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay				Bioorg Med Chem Lett 20: 6020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.068 BindingDB Entry DOI: 10.7270/Q2T72M88
					More data for this Ligand-Target Pair