Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.4 BDBM50436309

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))	BDBM50436309 (CHEMBL2398756) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N(C)C)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C27H35Cl2N3O2/c1-18(2)23(30-24(33)19-7-11-21(28)12-8-19)25(34)32-16-15-27(31(5)6,26(3,4)17-32)20-9-13-22(29)14-10-20/h7-14,18,23H,15-17H2,1-6H3,(H,30,33)/t23-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.33E+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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