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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 = 'BDBM314053'   
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))		BDBM314053
PNG
(US10167299, Example 167)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CC#N)c1ccc(s1)[N+]#[C-] |r,THB:8:9:16:12.13|
Show InChI InChI=1S/C24H31N7OS/c1-15(2)24-29-28-16(3)31(24)19-13-17-5-6-18(14-19)30(17)12-10-20(27-22(32)9-11-25)21-7-8-23(26-4)33-21/h7-8,15,17-20H,5-6,9-10,12-14H2,1-3H3,(H,27,32)/t17?,18?,19?,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.98n/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