BDBM50378801 CHEMBL1222069

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CN)[C@@H](C)CC)C(C)C)C(O)=O

InChI Key: InChIKey=RKTXHKRIBCHIHH-QNQWUVGFSA-N

Data: 1 KI

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 = 50378801   

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
Segment polarity protein dishevelled homolog DVL-2 (Homo sapiens (Human))	BDBM50378801 (CHEMBL1222069) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CN)[C@@H](C)CC)C(C)C)C(O)=O |r| Show InChI InChI=1S/C48H74N10O15/c1-9-25(7)39(57-41(65)30(15-16-36(61)62)51-35(60)20-49)47(71)56-38(24(5)6)46(70)54-31(17-23(3)4)42(66)52-32(18-27-21-50-29-14-12-11-13-28(27)29)43(67)55-34(22-59)45(69)53-33(19-37(63)64)44(68)58-40(48(72)73)26(8)10-2/h11-14,21,23-26,30-34,38-40,50,59H,9-10,15-20,22,49H2,1-8H3,(H,51,60)(H,52,66)(H,53,69)(H,54,70)(H,55,67)(H,56,71)(H,57,65)(H,58,68)(H,61,62)(H,63,64)(H,72,73)/t25-,26-,30-,31-,32-,33-,34-,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay				Nat Chem Biol 5: 217-9 (2009) Article DOI: 10.1038/nchembio.152 BindingDB Entry DOI: 10.7270/Q21N823P
					More data for this Ligand-Target Pair