Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 10
Ligand
BDBM114029
Substrate
n/a
Meas. Tech.
Counterscreen for exosite inhibitors of ADAM17: Fluorescence resonance energy transfer (FRET)-based biochemical high throughput dose response assay to identify inhibitors of ADAM10
IC50
7723±n/a nM
Citation
 PubChem, PC Counterscreen for exosite inhibitors of ADAM17: Fluorescence resonance energy transfer (FRET)-based biochemical high throughput dose response assay to identify inhibitors of ADAM10 PubChem Bioassay (2014)[AID] 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 10
Synonyms:
ADA10_HUMAN | ADAM10 | Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) | KUZ | MADM
Type:
Enzyme
Mol. Mass.:
84160.93
Organism:
Homo sapiens (Human)
Description:
O14672
Residue:
748
Sequence:
MVLLRVLILLLSWAAGMGGQYGNPLNKYIRHYEGLSYNVDSLHQKHQRAKRAVSHEDQFLRLDFHAHGRHFNLRMKRDTSLFSDEFKVETSNKVLDYDTSHIYTGHIYGEEGSFSHGSVIDGRFEGFIQTRGGTFYVEPAERYIKDRTLPFHSVIYHEDDINYPHKYGPQGGCADHSVFERMRKYQMTGVEEVTQIPQEEHAANGPELLRKKRTTSAEKNTCQLYIQTDHLFFKYYGTREAVIAQISSHVKAIDTIYQTTDFSGIRNISFMVKRIRINTTADEKDPTNPFRFPNIGVEKFLELNSEQNHDDYCLAYVFTDRDFDDGVLGLAWVGAPSGSSGGICEKSKLYSDGKKKSLNTGIITVQNYGSHVPPKVSHITFAHEVGHNFGSPHDSGTECTPGESKNLGQKENGNYIMYARATSGDKLNNNKFSLCSIRNISQVLEKKRNNCFVESGQPICGNGMVEQGEECDCGYSDQCKDECCFDANQPEGRKCKLKPGKQCSPSQGPCCTAQCAFKSKSEKCRDDSDCAREGICNGFTALCPASDPKPNFTDCNRHTQVCINGQCAGSICEKYGLEECTCASSDGKDDKELCHVCCMKKMDPSTCASTGSVQWSRHFSGRTITLQPGSPCNDFRGYCDVFMRCRLVDADGPLARLKKAIFSPELYENIAEWIVAHWWAVLLMGIALIMLMAGFIKICSVHTPSSNPKLPPPKPLPGTLKRRRPPQPIQQPQRQRPRESYQMGHMRR
  
Inhibitor
Name:
BDBM114029
Synonyms:
4,5-Dichloro-isothiazole-3-carboxylic acid (cyclopentylcarbamoyl-p-tolyl-methyl)-(4-methoxy-benzyl)-amide | 4,5-bis(chloranyl)-N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide | 4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3-carboxamide | 4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-3-isothiazolecarboxamide | 4,5-dichloro-N-[2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-p-anisyl-isothiazole-3-carboxamide | MLS000551850 | SMR000173029 | cid_3197170
Type:
Small organic molecule
Emp. Form.:
C26H27Cl2N3O3S
Mol. Mass.:
532.482
SMILES:
COc1ccc(CN(C(C(=O)NC2CCCC2)c2ccc(C)cc2)C(=O)c2nsc(Cl)c2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: