BDBM50159060 Ac-I[CVWQDWGWHRC]T-NH2::CHEMBL415601

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](Cc2c[nH]c3ccccc23)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=FLYCCQRIADFTOH-RHIYSSTNSA-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 = 50159060   

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))	BDBM50159060 (Ac-I[CVWQDWGWHRC]T-NH2 | CHEMBL415601) 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](Cc2c[nH]c3ccccc23)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/C79H105N23O18S2/c1-7-39(4)65(91-41(6)104)78(120)100-60-36-122-121-35-59(76(118)102-66(40(5)103)67(81)109)99-69(111)52(21-14-24-85-79(82)83)93-73(115)57(28-45-33-84-37-90-45)96-71(113)55(26-43-31-87-50-19-12-9-16-47(43)50)92-62(106)34-89-68(110)54(25-42-30-86-49-18-11-8-15-46(42)49)95-74(116)58(29-63(107)108)97-70(112)53(22-23-61(80)105)94-72(114)56(98-77(119)64(38(2)3)101-75(60)117)27-44-32-88-51-20-13-10-17-48(44)51/h8-13,15-20,30-33,37-40,52-60,64-66,86-88,103H,7,14,21-29,34-36H2,1-6H3,(H2,80,105)(H2,81,109)(H,84,90)(H,89,110)(H,91,104)(H,92,106)(H,93,115)(H,94,114)(H,95,116)(H,96,113)(H,97,112)(H,98,119)(H,99,111)(H,100,120)(H,101,117)(H,102,118)(H,107,108)(H4,82,83,85)/t39-,40+,52-,53-,54-,55-,56+,57+,58+,59-,60-,64-,65-,66-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+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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