BDBM50217533 CHEMBL3559598

SMILES: [#6]-[#7](-[#6])-c1cccc2[n+](cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-1=[#7]-[#8]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1)-[#6](-[#8-])=O

InChI Key: InChIKey=ZIBKQZVABQJRQW-PKHIMPSTSA-N

Data: 2 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 2 hits for monomerid = 50217533   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50217533 (CHEMBL3559598) Show SMILES [#6]-[#7](-[#6])-c1cccc2[n+](cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-1=[#7]-[#8]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1)-[#6](-[#8-])=O |t:24| Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/t15?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50217533 (CHEMBL3559598) Show SMILES [#6]-[#7](-[#6])-c1cccc2[n+](cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-1=[#7]-[#8]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1)-[#6](-[#8-])=O |t:24| Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/t15?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair