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BDBM50021285 CHEMBL3287918

SMILES: Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccnn1C

InChI Key: InChIKey=DHNQTIQANILCBL-PMERELPUSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021285   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrase


(Human immunodeficiency virus 1)		BDBM50021285
PNG
(CHEMBL3287918)
Show SMILES Cc1nc(c(C)c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccnn1C |r|
Show InChI InChI=1S/C32H35N3O4/c1-19-27(23-12-13-26-22(18-23)11-8-16-38-26)28(30(31(36)37)39-32(3,4)5)20(2)34-29(19)24-10-7-9-21(17-24)25-14-15-33-35(25)6/h7,9-10,12-15,17-18,30H,8,11,16H2,1-6H3,(H,36,37)/t30-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 52n/an/an/an/an/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