BindingDB logo
myBDB logout

null

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3

InChI Key: InChIKey=DIBSXNVNMXRIJU-RVSJRZBLSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50256265   
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
Plasma kallikrein


(Homo sapiens (Human))		BDBM50256265
PNG
(CHEMBL4089486)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r|
Show InChI InChI=1S/C74H104N20O19S3/c1-36(2)18-49-64(103)88-51(24-44-27-78-35-81-44)66(105)85-48(13-14-59(75)97)63(102)89-52(25-60(98)99)67(106)86-50(19-37(3)4)65(104)93-57(73(112)113)34-116-31-42-21-40-20-41(22-42)30-115-33-56(70(109)87-49)92-62(101)47(12-9-16-79-74(76)77)84-61(100)38(5)82-71(110)58-15-17-94(58)72(111)53(23-43-26-80-46-11-8-7-10-45(43)46)90-68(107)54(28-95)91-69(108)55(32-114-29-40)83-39(6)96/h7-8,10-11,20-22,26-27,35-38,47-58,80,95H,9,12-19,23-25,28-34H2,1-6H3,(H2,75,97)(H,78,81)(H,82,110)(H,83,96)(H,84,100)(H,85,105)(H,86,106)(H,87,109)(H,88,103)(H,89,102)(H,90,107)(H,91,108)(H,92,101)(H,93,104)(H,98,99)(H,112,113)(H4,76,77,79)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0600n/an/an/an/an/an/an/an/a



Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K.

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma

J Med Chem 61: 2823-2836 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01625
BindingDB Entry DOI: 10.7270/Q2862JW6
More data for this
Ligand-Target Pair