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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P17538   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Chymotrypsin-C/Chymotrypsin-like protease CTRL-1/Chymotrypsinogen B/Chymotrypsinogen B2


(Homo sapiens (Human))		BDBM50502656
PNG
(CHEMBL4455694)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)C(CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N2 |r|
Show InChI InChI=1S/C77H98N16O19S2/c1-4-41(3)64-74(109)89-57-40-114-113-39-56(88-67(102)50(32-42-17-23-46(24-18-42)45-12-7-6-8-13-45)81-63(99)37-80-65(100)52(35-61(78)97)84-72(107)58-14-9-29-91(58)76(111)54(36-62(79)98)86-71(57)106)70(105)83-51(33-43-19-25-47(95)26-20-43)68(103)82-49(5-2)66(101)87-55(38-94)69(104)85-53(34-44-21-27-48(96)28-22-44)75(110)93-31-11-16-60(93)77(112)92-30-10-15-59(92)73(108)90-64/h6-8,12-13,17-28,41,49-60,64,94-96H,4-5,9-11,14-16,29-40H2,1-3H3,(H2,78,97)(H2,79,98)(H,80,100)(H,81,99)(H,82,103)(H,83,105)(H,84,107)(H,85,104)(H,86,106)(H,87,101)(H,88,102)(H,89,109)(H,90,108)/t41-,49?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human chymotrypsin using Suc-AAPF-MCA as substrate by fluorescence based assay

ACS Med Chem Lett 10: 1234-1239 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00253
BindingDB Entry DOI: 10.7270/Q2N58QNG
More data for this
Ligand-Target Pair