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SMILES: CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@H]1NC(=O)c1cncnc1

InChI Key: InChIKey=QRZHERVCGUGAEM-BKSPAHHJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102320   
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))		BDBM102320
PNG
(US8536198, 57)
Show SMILES CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@H]1NC(=O)c1cncnc1 |r|
Show InChI InChI=1S/C25H31ClN4O3/c1-24(2)15-30(12-11-25(24,33)18-7-9-19(26)10-8-18)23(32)20-5-3-4-6-21(20)29-22(31)17-13-27-16-28-14-17/h7-10,13-14,16,20-21,33H,3-6,11-12,15H2,1-2H3,(H,29,31)/t20-,21+,25-/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 18.7n/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