BDBM50191814 (2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-(4-fluorophenyl)-4-[(1R,5'R)-5'-methylspiro[indene-1,4'-piperidine]-1'-yl]butanamide::CHEMBL213601
SMILES: C[C@H]1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CC[C@@]11C=Cc2ccccc12
InChI Key: InChIKey=PYXASHMZLWIZKY-VBHBFSRDSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50191814 ((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of NK1 | J Med Chem 49: 4801-4 (2006) Article DOI: 10.1021/jm060439n BindingDB Entry DOI: 10.7270/Q2VQ329M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50191814 ((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells | Bioorg Med Chem Lett 16: 4715-22 (2006) Article DOI: 10.1016/j.bmcl.2006.07.011 BindingDB Entry DOI: 10.7270/Q2JD4WDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 2 (Homo sapiens (Human)) | BDBM50191814 ((2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cells | J Med Chem 49: 4801-4 (2006) Article DOI: 10.1021/jm060439n BindingDB Entry DOI: 10.7270/Q2VQ329M | |||||||||||
More data for this Ligand-Target Pair |