BDBM50209445 (3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid::CHEMBL242706

SMILES: [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1

InChI Key: InChIKey=VVBLGIYMOTVSBM-QGZVFWFLSA-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 = 50209445   

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
ITGAV/ITGB6 (Homo sapiens (Human))	BDBM50209445 ((3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydrop...) Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1 Show InChI InChI=1S/C22H23BrClFN6O5/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)31-18(32)9-27-21(36)10-1-13(26)5-14(2-10)30-22-28-7-12(25)8-29-22/h1-5,12,17,35H,6-9,26H2,(H,27,36)(H,31,32)(H,33,34)(H2,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta6 integrin receptor in human HT29 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50209445 ((3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydrop...) Show SMILES [#7]-c1cc(cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8])\[#7]=[#6]-1\[#7]-[#6]-[#6](F)-[#6]-[#7]-1 Show InChI InChI=1S/C22H23BrClFN6O5/c23-16-4-11(24)3-15(20(16)35)17(6-19(33)34)31-18(32)9-27-21(36)10-1-13(26)5-14(2-10)30-22-28-7-12(25)8-29-22/h1-5,12,17,35H,6-9,26H2,(H,27,36)(H,31,32)(H,33,34)(H2,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells				Bioorg Med Chem 15: 3783-800 (2007) Article DOI: 10.1016/j.bmc.2007.03.034 BindingDB Entry DOI: 10.7270/Q25Q4VR4
					More data for this Ligand-Target Pair