BDBM107693 (2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut-2- enoic acid (Compound 19)::CHEMBL108760

SMILES: OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12

InChI Key: InChIKey=NVTRJKGWECZIQW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 107693   

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
HIV-1 Integrase (Human immunodeficiency virus type 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India.					Assay Description HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay.				Chem Biol Drug Des 83: 154-66 (2014) Article DOI: 10.1111/cbdd.12207 BindingDB Entry DOI: 10.7270/Q2QR4VSW
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Università di Messina Curated by ChEMBL					Assay Description Strand transfer inhibitory activity against HIV-1 integrase				J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant integrase				Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM107693 ((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...) Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute/NIH Curated by ChEMBL					Assay Description Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay				J Med Chem 45: 3184-94 (2002) BindingDB Entry DOI: 10.7270/Q26D5TPD
					More data for this Ligand-Target Pair