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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P04578   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50403756
PNG
(CHEMBL2029048)
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCOC(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Show InChI InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-56-48(55)49-41(40-57-47-46(54)45(53)44(52)43(39-50)58-47)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-47,50-54H,3-34,36,38-40H2,1-2H3,(H,49,55)/b37-35+/t41-,42+,43-,44-,45-,46-,47+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 11n/an/an/an/an/a



Cornell University

Curated by ChEMBL


Assay Description
Binding affinity towards HIV glycoprotein gp120

Bioorg Med Chem Lett 10: 1011-4 (2000)


BindingDB Entry DOI: 10.7270/Q2JQ108S
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM50281339
PNG
((S)-2-{(S)-2-[(4S,9S)-9-((R)-1-Amino-2-hydroxy-eth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N1NC(=O)[C@@H](CCC(=O)N[C@@H](CO)C1=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H51N7O9/c1-21(2)16-27(33(49)41-31(22(3)46)35(51)38-18-24-12-8-5-9-13-24)40-34(50)29(17-23-10-6-4-7-11-23)43-36(52)28(20-45)39-30(47)15-14-25(26(37)19-44)32(48)42-43/h4-13,21-22,25-29,31,44-46H,14-20,37H2,1-3H3,(H,38,51)(H,39,47)(H,40,50)(H,41,49)(H,42,48)/t22-,25+,26+,27+,28+,29+,31+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/a 4.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assay

Bioorg Med Chem Lett 3: 2851-2856 (1993)


Article DOI: 10.1016/S0960-894X(01)80778-2
BindingDB Entry DOI: 10.7270/Q2XP74VD
More data for this
Ligand-Target Pair