BDBM50239754 2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imidazol-5-yl)piperazin-1-yl)ethanol::CHEMBL259185
SMILES: CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
InChI Key: InChIKey=NXTWTUDFHBDVOS-UHFFFAOYSA-N
Data: 9 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor | Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from human cloned kappa opioid receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nociceptin receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay | Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane | Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ | |||||||||||
More data for this Ligand-Target Pair |