BindingDB PrimarySearch

BDBM50208999 (R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea::(R)-1-(5-chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea::BX-471::BX-741::CHEMBL232656

SMILES: C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O

InChI Key: InChIKey=XQYASZNUFDVMFH-CQSZACIVSA-N

Data: 1 KI 9 IC50 2 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50208999
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 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to CCR1				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
National Heart and Lung Institute Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	615	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))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding Affinity at CCL3				Bioorg Med Chem Lett 17: 3109-12 (2007) Article DOI: 10.1016/j.bmcl.2007.03.037 BindingDB Entry DOI: 10.7270/Q2CF9PSH
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Rattus norvegicus)	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	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))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay				Bioorg Med Chem Lett 29: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
Pharmacopeia, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to mouse CCR1 by radioligand binding assay				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
National Heart and Lung Institute Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
National Heart and Lung Institute Curated by ChEMBL					Assay Description Binding affinity to human CCR1 by radioligand binding assay				J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR
National Heart and Lung Institute Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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: 435-440 (2019) Article DOI: 10.1016/j.bmcl.2018.11.015
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 3 hrs				J Med Chem 52: 1295-301 (2010) Article DOI: 10.1021/jm801416q BindingDB Entry DOI: 10.7270/Q25X28Z3
Pharmacopeia, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50208999 ((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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