BDBM44170 2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid::5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxidanylidene-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid::5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid::Calcimycin A23187::MLS001056783::SMR000326983::cid_11957499
SMILES: CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
InChI Key: InChIKey=HIYAVKIYRIFSCZ-CYEMHPAKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Solute carrier family 12 member 5 (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 12 member 5 (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2QV3JZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 12 member 5 (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 9.96E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-box-binding protein 1 (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apelin receptor (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 12 member 5 (Homo sapiens (Human)) | BDBM44170![]() (2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PN942B | |||||||||||
More data for this Ligand-Target Pair |