BDBM50197995 (S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-yl-2H-pyrazol-3-yl]-butyrylamino}-5-guanidino-pentanoic acid methyl ester::CHEMBL241497
SMILES: [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=YLNOGPJREAMGJN-SANMLTNESA-N
Data: 3 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 5 (Homo sapiens (Human)) | BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CCR5 | Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes | Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins | Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD | |||||||||||
More data for this Ligand-Target Pair |