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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 = 'BDBM313958'   
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))		BDBM313958
PNG
(US10167299, Example 6)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C(C)CCC(C)(F)F)c1cccnc1 |r,THB:8:9:16:12.13|
Show InChI InChI=1S/C28H42F2N6O/c1-18(2)26-34-33-20(4)36(26)24-15-22-8-9-23(16-24)35(22)14-11-25(21-7-6-13-31-17-21)32-27(37)19(3)10-12-28(5,29)30/h6-7,13,17-19,22-25H,8-12,14-16H2,1-5H3,(H,32,37)/t19?,22?,23?,24?,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/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