BDBM50209438 (3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-ylamino)nicotinamido)acetamido)propanoic acid::CHEMBL244845

SMILES: [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8]

InChI Key: InChIKey=SKJCBBFQVYENKE-MRXNPFEDSA-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 = 50209438   

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-V/beta-6 (Homo sapiens (Human))	BDBM50209438 ((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hy...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8] Show InChI InChI=1S/C21H22Br2N6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.76E+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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50209438 ((3R)-3-(3,5-dibromo-2-hydroxyphenyl)-3-(2-(3-(5-hy...) Show SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cncc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#8])=O)-c1cc(Br)cc(Br)c1-[#8] Show InChI InChI=1S/C21H22Br2N6O6/c22-11-2-14(19(34)15(23)3-11)16(4-18(32)33)29-17(31)9-25-20(35)10-1-12(6-24-5-10)28-21-26-7-13(30)8-27-21/h1-3,5-6,13,16,30,34H,4,7-9H2,(H,25,35)(H,29,31)(H,32,33)(H2,26,27,28)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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