BDBM50009453 CHEMBL259011::CHI-1043

SMILES: COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12

InChI Key: InChIKey=GSMHULZNHJSXPP-MFOYZWKCSA-N

Data: 11 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 11 hits for monomerid = 50009453   

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)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...				Bioorg Med Chem 22: 2269-79 (2014) Article DOI: 10.1016/j.bmc.2014.02.012 BindingDB Entry DOI: 10.7270/Q2902598
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				Eur J Med Chem 89: 421-41 (2014) Article DOI: 10.1016/j.ejmech.2014.10.065 BindingDB Entry DOI: 10.7270/Q2DZ09XT
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase after 1 hr by ELISA				Eur J Med Chem 46: 756-64 (2011) Article DOI: 10.1016/j.ejmech.2010.12.012 BindingDB Entry DOI: 10.7270/Q23B62ZN
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity				Antimicrob Agents Chemother 52: 2861-9 (2008) Article DOI: 10.1128/aac.00210-08 BindingDB Entry DOI: 10.7270/Q2XK8JCF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase activity by ELISA				J Med Chem 52: 569-73 (2009) Article DOI: 10.1021/jm8009266 BindingDB Entry DOI: 10.7270/Q2NV9N29
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem Lett 18: 2891-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.089 BindingDB Entry DOI: 10.7270/Q2D50QRM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50009453 (CHEMBL259011 | CHI-1043) Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12 Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase				Bioorg Med Chem 18: 5510-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.063 BindingDB Entry DOI: 10.7270/Q2Z322G6
					More data for this Ligand-Target Pair