BDBM50508185 CHEMBL4454067

SMILES: CS(=O)(=O)c1ccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cn1

InChI Key: InChIKey=RKAXCCYDVZAIBG-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 = 50508185   

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))	BDBM50508185 (CHEMBL4454067) Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)cn1 Show InChI InChI=1S/C20H16FN5O3S/c1-30(28,29)19-7-2-13(8-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-5-3-14(21)4-6-15/h2-8,10-12H,9H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha...				Bioorg Med Chem Lett 29: 441-448 (2019) Article DOI: 10.1016/j.bmcl.2018.12.024
					More data for this Ligand-Target Pair