SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.9
BDBM50399208

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 18 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50399208 (CHEMBL2180528) 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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced calcium flux by FLIPR				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	30	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
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	78	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	78	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis incubated for 60 mins at 37 degC				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CK-8beta-induced calcium flux by FLIPR				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Chemokine receptor (Oryctolagus cuniculus)	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in rabbit PBMCs incubated for 60 mins				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current by whole cell patch clamp assay				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 in human THP1 cells				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in HT1080 cells by scintillation counting				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in mouse WEHI 274.1 cells incubated for 60 mins				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Macrophage inflammatory protein-1 alpha receptor (Rattus norvegicus)	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in rat thioglycolate-elicited peritoneal cells incubated for 60 mins				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]eotaxin from human CCR3 expressed in CHO CCR3/2 chimeric cells by scintillation counting				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19 expressed in baculovirus-infected insect cells using fluorogeinc substrate				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6 expressed in baculovirus-infected insect cells using fluorogeinc substrate				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect cells using fluorogeinc substrate				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50399208 (CHEMBL2180528) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 expressed in baculovirus-infected insect cells using fluorogeinc substrate				J Med Chem 55: 9643-53 (2012) Article DOI: 10.1021/jm300896d BindingDB Entry DOI: 10.7270/Q2ST7R0S
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair