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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50088350   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50088350
PNG
(CHEMBL430786 | Sodium; 1-[N'-(4-dimethylamino-3,6,...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C2C(=O)C(C(=O)NNC2(CCCC2)C([O-])=O)C1=O)C(=O)c1c(C)cccc1C3(C)O
Show InChI InChI=1S/C29H35N3O8/c1-13-8-7-9-15-17(13)22(33)19-16(28(15,2)40)12-14-18(23(19)34)24(35)20(25(36)21(14)32(3)4)26(37)30-31-29(27(38)39)10-5-6-11-29/h7-9,14,16,18-21,31,40H,5-6,10-12H2,1-4H3,(H,30,37)(H,38,39)/p-1/t14-,16+,18?,19?,20?,21+,28?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing


J Med Chem 43: 2100-14 (2000)


BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50088350
PNG
(CHEMBL430786 | Sodium; 1-[N'-(4-dimethylamino-3,6,...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C2C(=O)C(C(=O)NNC2(CCCC2)C([O-])=O)C1=O)C(=O)c1c(C)cccc1C3(C)O
Show InChI InChI=1S/C29H35N3O8/c1-13-8-7-9-15-17(13)22(33)19-16(28(15,2)40)12-14-18(23(19)34)24(35)20(25(36)21(14)32(3)4)26(37)30-31-29(27(38)39)10-5-6-11-29/h7-9,14,16,18-21,31,40H,5-6,10-12H2,1-4H3,(H,30,37)(H,38,39)/p-1/t14-,16+,18?,19?,20?,21+,28?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer


J Med Chem 43: 2100-14 (2000)


BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair