BDBM50172384 3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benzoylamino]-2-((S)-2-hydroxy-naphthalene-1-sulfonylamino)-propionic acid::CHEMBL372481

SMILES: [#7]\[#6](-[#7-])=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1-[#7+](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7]S(=O)(=O)c1c(-[#8])ccc2ccccc12)-[#6](-[#8])=O

InChI Key: InChIKey=NHOUFMALEGUYSJ-UHFFFAOYSA-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 = 50172384   

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))	BDBM50172384 (3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...) Show SMILES [#7]\[#6](-[#7-])=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1-[#7+](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7]S(=O)(=O)c1c(-[#8])ccc2ccccc12)-[#6](-[#8])=O Show InChI InChI=1S/C25H27N7O8S/c26-25(27)31-11-9-30(10-12-31)19-7-5-16(13-20(19)32(37)38)23(34)28-14-18(24(35)36)29-41(39,40)22-17-4-2-1-3-15(17)6-8-21(22)33/h1-8,13,18,29H,9-12,14H2,(H6,26,27,28,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against integrin alpha-2b beta3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50172384 (3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...) Show SMILES [#7]\[#6](-[#7-])=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1-[#7+](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7]S(=O)(=O)c1c(-[#8])ccc2ccccc12)-[#6](-[#8])=O Show InChI InChI=1S/C25H27N7O8S/c26-25(27)31-11-9-30(10-12-31)19-7-5-16(13-20(19)32(37)38)23(34)28-14-18(24(35)36)29-41(39,40)22-17-4-2-1-3-15(17)6-8-21(22)33/h1-8,13,18,29H,9-12,14H2,(H6,26,27,28,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against alpha IIb beta-3 receptor				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair