BDBM96312 1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino]-3-methyl-thiourea::1-[[1-[(3,4-dichlorophenyl)methyl]-2-oxidanylidene-pyridin-3-yl]carbonylamino]-3-methyl-thiourea::1-[[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-methylthiourea::1-[[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-oxomethyl]amino]-3-methylthiourea::2-{[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbonyl}-N-methyl-1-hydrazinecarbothioamide::MLS000543304::SMR000169273::cid_2764881
SMILES: CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChI Key: InChIKey=QREDPXWJCSSHOE-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
serum albumin precursor (Bos taurus) | BDBM96312 (1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2RX99Q9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TCRAV4S1 (Homo sapiens (Human)) | BDBM96312 (1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2WQ02FK | ||||||||||||
More data for this Ligand-Target Pair |