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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM314033'   
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
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM314033
PNG
(US10167299, Example 147)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1ccc(C)s1 |r,THB:8:9:16:12.13|
Show InChI InChI=1S/C28H44N6O3S2/c1-18(2)27-31-30-20(4)34(27)24-16-22-7-8-23(17-24)33(22)15-12-25(26-9-6-19(3)38-26)29-28(35)21-10-13-32(14-11-21)39(5,36)37/h6,9,18,21-25H,7-8,10-17H2,1-5H3,(H,29,35)/t22?,23?,24?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.48n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ...

US Patent US10167299 (2019)


BindingDB Entry DOI: 10.7270/Q2V126X2
More data for this
Ligand-Target Pair