BDBM50021287 CHEMBL3287920

SMILES: Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=UJFPIBNJRKYTAR-HKBQPEDESA-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 = 50021287   

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)	BDBM50021287 (CHEMBL3287920) Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C33H34N2O4/c1-20-28(26-12-13-27-25(19-26)7-6-18-38-27)29(31(32(36)37)39-33(3,4)5)21(2)35-30(20)24-10-8-22(9-11-24)23-14-16-34-17-15-23/h8-17,19,31H,6-7,18H2,1-5H3,(H,36,37)/t31-/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	24	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Curated by ChEMBL					Assay Description Apparent binding affinity to Trx-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