BindingDB PrimarySearch

BDBM50210976 (R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione::CHEMBL397910

SMILES: C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O

InChI Key: InChIKey=CYGAJNKOYQUXNL-LJQANCHMSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50210976
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
C-C chemokine receptor type 1 (Mus musculus)	BDBM50210976 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Binding affinity at mouse CCR1				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
Tanabe Research Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210976 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP1alpha-induced calcium flux by FLIPR				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
Tanabe Research Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor (Rattus norvegicus)	BDBM50210976 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Binding affinity at rat CCR1				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
Tanabe Research Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210976 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
Tanabe Research Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50210976 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells				Bioorg Med Chem Lett 17: 3367-72 (2007) Article DOI: 10.1016/j.bmcl.2007.03.104 BindingDB Entry DOI: 10.7270/Q2ZW1KK9
Tanabe Research Laboratories, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair