BDBM50159055 Ac-I[CVWQDWGHHRC]T-NH2::CHEMBL411957

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=WCPUCPVVFQIWRA-BEXWAHHISA-N

Data: 1 IC50

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 = 50159055   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Complement C3 (Homo sapiens (Human))	BDBM50159055 (Ac-I[CVWQDWGHHRC]T-NH2 | CHEMBL411957) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C74H102N24O18S2/c1-7-36(4)60(87-38(6)100)73(116)96-55-32-118-117-31-54(71(114)98-61(37(5)99)62(76)105)95-64(107)47(17-12-20-81-74(77)78)89-68(111)52(24-42-29-80-34-86-42)92-67(110)51(23-41-28-79-33-85-41)88-57(102)30-84-63(106)49(21-39-26-82-45-15-10-8-13-43(39)45)91-69(112)53(25-58(103)104)93-65(108)48(18-19-56(75)101)90-66(109)50(94-72(115)59(35(2)3)97-70(55)113)22-40-27-83-46-16-11-9-14-44(40)46/h8-11,13-16,26-29,33-37,47-55,59-61,82-83,99H,7,12,17-25,30-32H2,1-6H3,(H2,75,101)(H2,76,105)(H,79,85)(H,80,86)(H,84,106)(H,87,100)(H,88,102)(H,89,111)(H,90,109)(H,91,112)(H,92,110)(H,93,108)(H,94,115)(H,95,107)(H,96,116)(H,97,113)(H,98,114)(H,103,104)(H4,77,78,81)/t36-,37+,47-,48-,49-,50+,51-,52+,53+,54-,55-,59-,60-,61-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/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
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