BDBM50159061 Ac-dI[CVWQDWGAHRC]T::CHEMBL412730

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)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(O)=O

InChI Key: InChIKey=QQGOUHNUULOZDJ-YXLXHYQTSA-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 = 50159061   

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))	BDBM50159061 (Ac-dI[CVWQDWGAHRC]T | CHEMBL412730) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](C)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(O)=O Show InChI InChI=1S/C70H97N21O19S2/c1-8-33(4)56(81-36(7)93)68(108)89-51-30-112-111-29-50(66(106)91-57(35(6)92)69(109)110)88-61(101)45(19-20-75-70(72)73)83-63(103)48(23-39-27-74-31-79-39)84-58(98)34(5)80-53(95)28-78-59(99)46(21-37-25-76-42-15-11-9-13-40(37)42)85-64(104)49(24-54(96)97)86-60(100)44(17-18-52(71)94)82-62(102)47(87-67(107)55(32(2)3)90-65(51)105)22-38-26-77-43-16-12-10-14-41(38)43/h9-16,25-27,31-35,44-51,55-57,76-77,92H,8,17-24,28-30H2,1-7H3,(H2,71,94)(H,74,79)(H,78,99)(H,80,95)(H,81,93)(H,82,102)(H,83,103)(H,84,98)(H,85,104)(H,86,100)(H,87,107)(H,88,101)(H,89,108)(H,90,105)(H,91,106)(H,96,97)(H,109,110)(H4,72,73,75)/t33-,34-,35+,44-,45-,46-,47+,48+,49+,50-,51-,55-,56-,57+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	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
					More data for this Ligand-Target Pair