BDBM50364352 CHEMBL1950108

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)O[C@H](CO)[C@@H]2OS([O-])(=O)=O)O[C@@H]1C(O)=O

InChI Key: InChIKey=GKXUHSQWZVZOSW-GSTOGGIJSA-K

Data: 1 Kd

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 = 50364352   

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
Midkine (Homo sapiens (Human))	BDBM50364352 (CHEMBL1950108) Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[C@@H]3C(O)=O)O[C@H](CO)[C@@H]2OS([O-])(=O)=O)O[C@@H]1C(O)=O |r| Show InChI InChI=1S/C51H84N6O39S4/c1-22(59)54-31-33(63)38(95-99(76,77)78)26(20-87-98(73,74)75)89-47(31)91-42-35(65)37(67)50(94-44(42)46(70)71)90-40-32(55-23(2)60)48(88-25(19-58)39(40)96-100(79,80)81)92-41-34(64)36(66)49(93-43(41)45(68)69)86-12-9-53-29(62)7-10-82-13-15-84-17-18-85-16-14-83-11-8-52-28(61)6-4-3-5-27-30-24(21-97-27)56-51(72)57-30/h24-27,30-44,47-50,58,63-67H,3-21H2,1-2H3,(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H,68,69)(H,70,71)(H2,56,57,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-3/t24-,25+,26+,27-,30-,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,47-,48-,49+,50+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a
Tottori University Curated by ChEMBL					Assay Description Binding affinity to recombinant midkine after 3 mins				Bioorg Med Chem Lett 22: 1371-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.054 BindingDB Entry DOI: 10.7270/Q2MP53R3
					More data for this Ligand-Target Pair