Reaction Details Report a problem with these data
Target
Complement C1s subcomponent
Ligand
BDBM32778
Substrate
n/a
Meas. Tech.
Complement factor C1s IC50 from mixture screen
IC50
2140±70 nM
Citation
 PubChem, PC Complement factor C1s IC50 from mixture screen PubChem Bioassay (2008)[AID] 
Target
Name:
Complement C1s subcomponent
Synonyms:
C1 esterase | C1S | C1S_HUMAN | Complement C1s | Complement C1s subcomponent | Complement C1s subcomponent heavy chain | Complement C1s subcomponent light chain | Complement component 1 subcomponent s | Trypsin | complement component 1, s subcomponent
Type:
Protein
Mol. Mass.:
76657.91
Organism:
Homo sapiens (Human)
Description:
P09871
Residue:
688
Sequence:
MWCIVLFSLLAWVYAEPTMYGEILSPNYPQAYPSEVEKSWDIEVPEGYGIHLYFTHLDIELSENCAYDSVQIISGDTEEGRLCGQRSSNNPHSPIVEEFQVPYNKLQVIFKSDFSNEERFTGFAAYYVATDINECTDFVDVPCSHFCNNFIGGYFCSCPPEYFLHDDMKNCGVNCSGDVFTALIGEIASPNYPKPYPENSRCEYQIRLEKGFQVVVTLRREDFDVEAADSAGNCLDSLVFVAGDRQFGPYCGHGFPGPLNIETKSNALDIIFQTDLTGQKKGWKLRYHGDPMPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFEEKQRIIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVKVEKPTADAEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENSTPRED
  
Inhibitor
Name:
BDBM32778
Synonyms:
MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate | [2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate | benzoic acid [2-(2-cyanoethyl)-5-methyl-3-pyrazolyl] ester | benzoic acid [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] ester | cid_2366780
Type:
Small organic molecule
Emp. Form.:
C14H13N3O2
Mol. Mass.:
255.2719
SMILES:
Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Structure:
Search PDB for entries with ligand similarity: