BDBM50210970 (R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione::CHEMBL231829
SMILES: CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
InChI Key: InChIKey=OWMGOMSSWLIZMB-OAHLLOKOSA-N
Data: 5 IC50
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)) | BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 1 (Mus musculus) | BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Macrophage inflammatory protein-1 alpha receptor (Rattus norvegicus) | BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50210970 ((R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17 | 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 | |||||||||||
More data for this Ligand-Target Pair |