BDBM50142742 (E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid ethyl ester::CHEMBL301161

SMILES: CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1

InChI Key: InChIKey=GQRVJPBJBAPFNB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50142742   

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 integrase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of RNase H activity of recombinant HIV1 reverse transcriptase using poly(dC)-[3H]poly(rG) as substrate				J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el...				J Med Chem 56: 8588-98 (2013) Article DOI: 10.1021/jm401040b BindingDB Entry DOI: 10.7270/Q2BZ690C
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50142742 ((E)-6-[1-(4-Methyl-benzyl)-1H-pyrrol-2-yl]-2,4-dio...) Show SMILES CCOC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(C)cc1 |w:10.9| Show InChI InChI=1S/C20H21NO4/c1-3-25-20(24)19(23)13-18(22)11-10-17-5-4-12-21(17)14-16-8-6-15(2)7-9-16/h4-12H,3,13-14H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 integrase.				Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61
					More data for this Ligand-Target Pair