BDBM50427092 CHEMBL2322861

SMILES: COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(C#N)c1C)C(F)(F)F

InChI Key: InChIKey=UFASRIQDWMMSTR-UHFFFAOYSA-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 = 50427092   

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))	BDBM50427092 (CHEMBL2322861) Show SMILES COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(C#N)c1C)C(F)(F)F Show InChI InChI=1S/C19H19ClF3N5O2/c1-12-14(10-24)18(19(21,22)23)25-28(12)11-17(29)27-7-5-26(6-8-27)13-3-4-15(20)16(9-13)30-2/h3-4,9H,5-8,11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells				Bioorg Med Chem Lett 23: 1228-31 (2013) Article DOI: 10.1016/j.bmcl.2013.01.005 BindingDB Entry DOI: 10.7270/Q2NZ88Z2
					More data for this Ligand-Target Pair