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SMILES: C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O

InChI Key: InChIKey=VCMFGPLAKZYOMF-SDIFJKIHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102335   
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))		BDBM102335
PNG
(US8536198, 106)
Show SMILES C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O |r|
Show InChI InChI=1S/C26H40ClN3O4/c1-17(25(4,5)33)28-23(32)29-21-9-7-6-8-20(21)22(31)30-15-14-26(34,24(2,3)16-30)18-10-12-19(27)13-11-18/h10-13,17,20-21,33-34H,6-9,14-16H2,1-5H3,(H2,28,29,32)/t17-,20-,21+,26-/m0/s1
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Similars
US Patent
n/an/a 0.700n/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