BindingDB PrimarySearch

BDBM50337619 ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(4-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone::((3S,4S)-N-[(1R,3S)-3-isopropyl-3-({4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)cyclopentyl]-3-methoxytetrahydro-2H-pyran-4-amine::CHEMBL1683074

SMILES: CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=DQWSENNLMPJNRJ-WHLIWEHUSA-N

Data: 17 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50337619
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 5 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of labeled MIP-1beta from human CCR5 receptor				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 by whole blood assay				Bioorg Med Chem Lett 21: 2626-30 (2011) Article DOI: 10.1016/j.bmcl.2011.01.034 BindingDB Entry DOI: 10.7270/Q2CJ8DT9
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of labeled MIP-1beta from human CCR5 receptor				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Mus musculus)	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to mouse CCR2				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Rattus norvegicus)	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to rat CCR2				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Mus musculus)	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to mouse CCR5				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia 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
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 by human whole cell binding assay				Bioorg Med Chem Lett 21: 1827-31 (2011) Article DOI: 10.1016/j.bmcl.2011.01.052 BindingDB Entry DOI: 10.7270/Q2GM87M5
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of dofetilide from human ERG				Bioorg Med Chem Lett 21: 1827-31 (2011) Article DOI: 10.1016/j.bmcl.2011.01.052 BindingDB Entry DOI: 10.7270/Q2GM87M5
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of labeled dofetilide from human ERG				Bioorg Med Chem Lett 21: 2626-30 (2011) Article DOI: 10.1016/j.bmcl.2011.01.034 BindingDB Entry DOI: 10.7270/Q2CJ8DT9
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced chemotaxis by cell based assay				Bioorg Med Chem Lett 21: 2626-30 (2011) Article DOI: 10.1016/j.bmcl.2011.01.034 BindingDB Entry DOI: 10.7270/Q2CJ8DT9
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 preincubated for 30 mins by human whole cell binding assay				Bioorg Med Chem Lett 21: 2626-30 (2011) Article DOI: 10.1016/j.bmcl.2011.01.034 BindingDB Entry DOI: 10.7270/Q2CJ8DT9
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50337619 (((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting				Bioorg Med Chem Lett 21: 1442-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.015 BindingDB Entry DOI: 10.7270/Q22J6C4C
Incyte Corporation Curated by ChEMBL					More data for this Ligand-Target Pair