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SMILES: Cc1nc2cccnc2n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=HUJMMKROGZIWHI-GTNKKZTPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314723   
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))		BDBM50314723
PNG
(CHEMBL1090041 | endo-(S)-N-(4-fluorobenzyl)-4-(3-(...)
Show SMILES Cc1nc2cccnc2n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C31H34FN5O/c1-21-35-29-8-5-16-33-30(29)37(21)27-18-25-13-14-26(19-27)36(25)17-15-28(23-6-3-2-4-7-23)31(38)34-20-22-9-11-24(32)12-10-22/h2-12,16,25-28H,13-15,17-20H2,1H3,(H,34,38)/t25-,26-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14.4n/an/an/an/an/an/a



Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding

Bioorg Med Chem Lett 20: 2219-23 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.023
BindingDB Entry DOI: 10.7270/Q2C53M0B
More data for this
Ligand-Target Pair