BindingDB logo
myBDB logout

null

SMILES: CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)C1CCCC1

InChI Key: InChIKey=KAZFMAYRFFYJPO-BKSPAHHJSA-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 = 102331   
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 1


(Homo sapiens (Human))		BDBM102331
PNG
(US8536198, 86)
Show SMILES CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C25H35ClN2O3/c1-24(2)16-28(15-14-25(24,31)18-10-12-19(26)13-11-18)23(30)20-8-5-9-21(20)27-22(29)17-6-3-4-7-17/h10-13,17,20-21,31H,3-9,14-16H2,1-2H3,(H,27,29)/t20-,21+,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
CCR1 ligand binding using scintillation proximity assay (SPA).

US Patent US8536198 (2013)


BindingDB Entry DOI: 10.7270/Q2HT2MZ9
More data for this
Ligand-Target Pair