BDBM50422828 CENICRIVIROC::CENICRIVIROC MESYLATE::TAK-652::TBR-652
SMILES: CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC
InChI Key: InChIKey=PNDKCRDVVKJPKG-DPDRHGIRSA-N
Data: 10 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 2 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]MCP-1 from CCR2b expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]TARC from CCR4 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]RANTES from CCR1 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |
National Heart and Lung Institute Curated by ChEMBL | Assay Description Antagonist activity at CCR5 assessed as inhibition of CCL3 binding | J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 3 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]eotaxin from CCR3 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5 | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 7 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]MIP-3beta from CCR7 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Heart and Lung Institute Curated by ChEMBL | Assay Description Antagonist activity at CCR2 assessed as inhibition of CCL2 binding | J Med Chem 55: 9363-92 (2012) Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Displacement of [125I]RANTES from CCR5 expressed in CHO cells | J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303 | |||||||||||
More data for this Ligand-Target Pair |