BDBM50159059 Ac-I[CVHQDWGHHRC]T-NH2::CHEMBL429695

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](Cc2cnc[nH]2)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=BOKLLRIGSLYOHT-OYMOBXHASA-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 = 50159059   

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))	BDBM50159059 (Ac-I[CVHQDWGHHRC]T-NH2 | CHEMBL429695) 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](Cc2cnc[nH]2)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/C69H99N25O18S2/c1-7-33(4)55(83-35(6)96)68(112)92-50-28-114-113-27-49(66(110)94-56(34(5)95)57(71)101)91-59(103)42(13-10-16-77-69(72)73)85-62(106)46(19-38-24-75-30-81-38)88-61(105)45(18-37-23-74-29-80-37)84-52(98)26-79-58(102)44(17-36-22-78-41-12-9-8-11-40(36)41)87-64(108)48(21-53(99)100)89-60(104)43(14-15-51(70)97)86-63(107)47(20-39-25-76-31-82-39)90-67(111)54(32(2)3)93-65(50)109/h8-9,11-12,22-25,29-34,42-50,54-56,78,95H,7,10,13-21,26-28H2,1-6H3,(H2,70,97)(H2,71,101)(H,74,80)(H,75,81)(H,76,82)(H,79,102)(H,83,96)(H,84,98)(H,85,106)(H,86,107)(H,87,108)(H,88,105)(H,89,104)(H,90,111)(H,91,103)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,72,73,77)/t33-,34+,42-,43-,44-,45-,46+,47+,48+,49-,50-,54-,55-,56-/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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