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SMILES: CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(c1)C(O)=O

InChI Key: InChIKey=OPLJFYVVYWAUGH-XXAUWVGASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102330   
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))		BDBM102330
PNG
(US8536198, 85)
Show SMILES CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C27H31ClN2O5/c1-26(2)16-30(14-13-27(26,35)19-9-11-20(28)12-10-19)24(32)21-7-4-8-22(21)29-23(31)17-5-3-6-18(15-17)25(33)34/h3,5-6,9-12,15,21-22,35H,4,7-8,13-14,16H2,1-2H3,(H,29,31)(H,33,34)/t21-,22+,27-/m0/s1
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Similars
US Patent
n/an/a 1.60n/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