Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 938.0 BDBM50291572

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50291572 (CHEMBL386693 | Hydrazinonicotinyl analogue) Show SMILES CC(C)[C@H]1NC(=O)c2cc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)cc(NC(=O)CCCCCNC(=O)c1ccc(NNC(=O)OC(C)(C)C)nc1)c2 Show InChI InChI=1S/C43H63N13O11/c1-24(2)35-40(65)56(6)30(11-10-16-47-41(44)45)39(64)50-23-33(58)52-29(20-34(59)60)38(63)49-21-25-17-27(37(62)53-35)19-28(18-25)51-32(57)12-8-7-9-15-46-36(61)26-13-14-31(48-22-26)54-55-42(66)67-43(3,4)5/h13-14,17-19,22,24,29-30,35H,7-12,15-16,20-21,23H2,1-6H3,(H,46,61)(H,48,54)(H,49,63)(H,50,64)(H,51,57)(H,52,58)(H,53,62)(H,55,66)(H,59,60)(H4,44,45,47)/t29-,30-,35+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 125I-fibrinogen binding to alpha IIb beta-3 integrin as inhibition of activated platelets				Bioorg Med Chem Lett 7: 955-960 (1997) Article DOI: 10.1016/S0960-894X(97)00083-8 BindingDB Entry DOI: 10.7270/Q2RR1ZRV
					More data for this Ligand-Target Pair