BDBM50248035 (2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid::CHEMBL508044
SMILES: COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI Key: InChIKey=ZQUSYVORYNBGLG-FQEVSTJZSA-N
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 |
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Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of NTS1 receptor (unknown origin) | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of MOR (unknown origin) | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of DOR (unknown origin) | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Inhibition of DAT (unknown origin) | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 (unknown origin) expressed in CHOK1 cells by calcium mobilization assay | Bioorg Med Chem Lett 19: 1438-41 (2009) Article DOI: 10.1016/j.bmcl.2009.01.024 BindingDB Entry DOI: 10.7270/Q2S46RVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin by GFP reporter gene assay | ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 (unknown origin) expressed in CHOK1 cells by beta-arrestin assay | ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurotensin receptor (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 35 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at GPR35 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 (unknown origin) expressed in CHO-K1 cells coexpressing beta-arrestin/N-terminal deletion mutant of beta-galactosidase fusio... | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | <156 | n/a | n/a | n/a | n/a |
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as Ca2+ mobilization by Fluo-4 NW dye-based fluorescence assay | Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0 | |||||||||||
More data for this Ligand-Target Pair |