BDBM50070534 1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)-ethyl]-urea::CHEMBL35729

SMILES: CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F

InChI Key: InChIKey=QCUXORFMMDLGEK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50070534   

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)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50070534 (1-(5-Chloro-pyridin-2-yl)-3-[2-(3-ethoxy-2-fluoro-...) Show SMILES CCOc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F Show InChI InChI=1S/C17H19ClFN3O3/c1-3-25-14-6-5-13(24-2)12(16(14)19)8-9-20-17(23)22-15-7-4-11(18)10-21-15/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)				Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ
					More data for this Ligand-Target Pair