BDBM50004364 CHEMBL3238134

SMILES: OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCN(CCCCl)CC1

InChI Key: InChIKey=SLQRDNFXIQFIDX-MYYYXRDXSA-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 = 50004364   

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)	BDBM50004364 (CHEMBL3238134) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCN(CCCCl)CC1 Show InChI InChI=1S/C27H27ClFN3O5/c28-8-1-9-30-10-12-31(13-11-30)20-6-7-21-23(14-20)32(16-18-2-4-19(29)5-3-18)17-22(26(21)35)24(33)15-25(34)27(36)37/h2-7,14-15,17,34H,1,8-13,16H2,(H,36,37)/b25-15-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity by gel-based assays				J Med Chem 57: 3223-34 (2014) Article DOI: 10.1021/jm5001503 BindingDB Entry DOI: 10.7270/Q25Q4XM5
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50004364 (CHEMBL3238134) Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCN(CCCCl)CC1 Show InChI InChI=1S/C27H27ClFN3O5/c28-8-1-9-30-10-12-31(13-11-30)20-6-7-21-23(14-20)32(16-18-2-4-19(29)5-3-18)17-22(26(21)35)24(33)15-25(34)27(36)37/h2-7,14-15,17,34H,1,8-13,16H2,(H,36,37)/b25-15-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by gel-based assay				J Med Chem 57: 3223-34 (2014) Article DOI: 10.1021/jm5001503 BindingDB Entry DOI: 10.7270/Q25Q4XM5
					More data for this Ligand-Target Pair