BindingDB logo
myBDB logout

null

SMILES: CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1

InChI Key: InChIKey=GZVIZJVQQUZMAW-YTZNMQJJSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 314021   
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
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM314021
PNG
(US10167299, Example 135)
Show SMILES CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(C)=O)c1ccc(F)s1 |r,TLB:23:22:15.21.16:18.19,14:15:22:18.19|
Show InChI InChI=1S/C27H38FN5O2S/c1-16(2)27(35)31-11-10-24-23(15-31)29-17(3)33(24)21-13-19-5-6-20(14-21)32(19)12-9-22(30-18(4)34)25-7-8-26(28)36-25/h7-8,16,19-22H,5-6,9-15H2,1-4H3,(H,30,34)/t19?,20?,21?,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.28n/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