BDBM38998 MLS000064750::N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide::N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide::N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide::N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide::SMR000077579::cid_972733
SMILES: O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
InChI Key: InChIKey=XGHUJWTXGMRXEL-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
endothelial PAS domain-containing protein 1 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | <300 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2WS8RVZ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SUMO-1-specific protease (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-3 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
matrix metalloproteinase 1 (Homo sapiens (Human)) | BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 98 | 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-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2154FGT | |||||||||||
More data for this Ligand-Target Pair |