BDBM16816 (2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-methyl-5-(morpholin-4-yl)-3-oxo-2,3-dihydropyridazin-4-yl]phenyl}propanoic acid::pyridazinone-based antagonist, 18

SMILES: Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O

InChI Key: InChIKey=OSQNFWWDIQJEHF-IBGZPJMESA-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 = 16816   

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 alpha4beta7 (Homo sapiens (Human))	BDBM16816 ((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-met...) Show SMILES Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C25H24Cl2N4O5/c1-30-24(33)21(20(14-28-30)31-9-11-36-12-10-31)16-7-5-15(6-8-16)13-19(25(34)35)29-23(32)22-17(26)3-2-4-18(22)27/h2-8,14,19H,9-13H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	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 alpha4beta1 (VLA-4) (Homo sapiens (Human))	BDBM16816 ((2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[2-met...) Show SMILES Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r| Show InChI InChI=1S/C25H24Cl2N4O5/c1-30-24(33)21(20(14-28-30)31-9-11-36-12-10-31)16-7-5-15(6-8-16)13-19(25(34)35)29-23(32)22-17(26)3-2-4-18(22)27/h2-8,14,19H,9-13H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1	PDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	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