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BDBM50159045 Ac-I[CVdYQDWGAHRC]I-NH2::CHEMBL439442

SMILES: CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O

InChI Key: InChIKey=RHHNDJXNZACISP-VYQSMZSKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50159045   
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
Complement C3


(Homo sapiens (Human))		BDBM50159045
PNG
(Ac-I[CVdYQDWGAHRC]I-NH2 | CHEMBL439442)
Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O
Show InChI InChI=1S/C71H103N21O18S2/c1-9-35(5)57(59(73)99)92-68(108)51-31-111-112-32-52(90-70(110)58(36(6)10-2)82-38(8)93)67(107)91-56(34(3)4)69(109)88-47(24-39-17-19-42(94)20-18-39)64(104)84-46(21-22-53(72)95)63(103)87-50(27-55(97)98)66(106)86-48(25-40-28-78-44-15-12-11-14-43(40)44)61(101)79-30-54(96)81-37(7)60(100)85-49(26-41-29-76-33-80-41)65(105)83-45(62(102)89-51)16-13-23-77-71(74)75/h11-12,14-15,17-20,28-29,33-37,45-52,56-58,78,94H,9-10,13,16,21-27,30-32H2,1-8H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,93)(H,83,105)(H,84,104)(H,85,100)(H,86,106)(H,87,103)(H,88,109)(H,89,102)(H,90,110)(H,91,107)(H,92,108)(H,97,98)(H4,74,75,77)/t35-,36-,37-,45-,46-,47-,48-,49+,50+,51-,52-,56-,57+,58-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of California at Riverside

Curated by ChEMBL


Assay Description
Inhibitory concentration for human complement component C3 activation

J Med Chem 48: 274-86 (2005)


Article DOI: 10.1021/jm0495531
BindingDB Entry DOI: 10.7270/Q2DR2W81
More data for this
Ligand-Target Pair