BDBM50021275 CHEMBL3287911

SMILES: Cc1nc-2c(CCCc3ccccc-23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O

InChI Key: InChIKey=QXKVEBCASQUKTG-NDEPHWFRSA-N

Data: 1 Kd

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 1 hit for monomerid = 50021275   

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)	BDBM50021275 (CHEMBL3287911) Show SMILES Cc1nc-2c(CCCc3ccccc-23)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C30H33NO4/c1-18-25(28(29(32)33)35-30(2,3)4)26(21-14-15-24-20(17-21)11-8-16-34-24)23-13-7-10-19-9-5-6-12-22(19)27(23)31-18/h5-6,9,12,14-15,17,28H,7-8,10-11,13,16H2,1-4H3,(H,32,33)/t28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Curated by ChEMBL					Assay Description Apparent binding affinity to His-tagged HIV integrase				ACS Med Chem Lett 5: 711-6 (2014) Article DOI: 10.1021/ml500110j BindingDB Entry DOI: 10.7270/Q2PG1T8J
					More data for this Ligand-Target Pair