Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 16805   

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-4/beta-7 (Homo sapiens (Human))	BDBM16805 ((2S)-3-[4-(2-benzyl-5-methoxy-3-oxo-2,3-dihydropyr...) Show SMILES COc1cnn(Cc2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H23Cl2N3O5/c1-38-23-15-31-33(16-18-6-3-2-4-7-18)27(35)24(23)19-12-10-17(11-13-19)14-22(28(36)37)32-26(34)25-20(29)8-5-9-21(25)30/h2-13,15,22H,14,16H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	4
Johnson & Johnson Pharmaceutical					Assay Description M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...				J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 [T112H] (Homo sapiens (Human))	BDBM16805 ((2S)-3-[4-(2-benzyl-5-methoxy-3-oxo-2,3-dihydropyr...) Show SMILES COc1cnn(Cc2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H23Cl2N3O5/c1-38-23-15-31-33(16-18-6-3-2-4-7-18)27(35)24(23)19-12-10-17(11-13-19)14-22(28(36)37)32-26(34)25-20(29)8-5-9-21(25)30/h2-13,15,22H,14,16H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	7.4	22
Johnson & Johnson Pharmaceutical					Assay Description Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA....				J Med Chem 49: 3402-11 (2006) Article DOI: 10.1021/jm060031q BindingDB Entry DOI: 10.7270/Q2Z60M9V
					More data for this Ligand-Target Pair