BDBM50254515 (1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropylmethyl)-2,7-dihydroxy-19,25-dioxa-9,22,33-triazaundecacyclo[24.9.1.1^{8,14}.0^{1,24}.0^{2,32}.0^{4,23}.0^{5,21}.0^{7,12}.0^{12,20}.0^{13,18}.0^{30,36}]heptatriaconta-13(18),14,16,26(36),27,29-hexaene-17,27-dicarboxamide::CHEMBL506457
SMILES: NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O
InChI Key: InChIKey=JVDIYRCPKNTHHT-XZJIIBJCSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254515 ((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50254515 ((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50254515 ((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair |