BDBM50436308 CHEMBL2398739

SMILES: CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

InChI Key: InChIKey=PGYPKUWWIBPENR-NAKRPHOHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436308   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436308 (CHEMBL2398739) Show SMILES CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C28H37ClN2O3/c1-20(2)25(30-24(32)12-8-11-21-9-6-5-7-10-21)26(33)31-18-17-28(34,27(3,4)19-31)22-13-15-23(29)16-14-22/h5-7,9-10,13-16,20,25,34H,8,11-12,17-19H2,1-4H3,(H,30,32)/t25-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	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
					More data for this Ligand-Target Pair