Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.9 BDBM50436291

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436291 (CHEMBL2398760) Show SMILES CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H33ClN2O2/c1-18(2)22(27-23(29)19-8-6-5-7-9-19)16-28-15-14-25(30,24(3,4)17-28)20-10-12-21(26)13-11-20/h5-13,18,22,30H,14-17H2,1-4H3,(H,27,29)/t22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human CCR1				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
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