Found 2 hits of ic50 for monomerid = 16838 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-1 [T112H]
(Homo sapiens (Human)) | BDBM16838
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)Show SMILES CN(C)CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(7.25,-11.19,;8.58,-11.96,;8.58,-13.5,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)| Show InChI InChI=1S/C28H33Cl2N5O5/c1-34(2)12-11-23(36)35-19-9-5-17(6-10-19)25(35)27(38)33-22(28(39)40)13-16-3-7-18(8-4-16)32-26(37)24-20(29)14-31-15-21(24)30/h3-4,7-8,14-15,17,19,22,25H,5-6,9-13H2,1-2H3,(H,32,37)(H,33,38)(H,39,40)/t17?,19?,22-,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | 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.... |
Bioorg Med Chem 13: 6693-702 (2005)
Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2TD9VM1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM16838
((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)Show SMILES CN(C)CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(7.25,-11.19,;8.58,-11.96,;8.58,-13.5,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)| Show InChI InChI=1S/C28H33Cl2N5O5/c1-34(2)12-11-23(36)35-19-9-5-17(6-10-19)25(35)27(38)33-22(28(39)40)13-16-3-7-18(8-4-16)32-26(37)24-20(29)14-31-15-21(24)30/h3-4,7-8,14-15,17,19,22,25H,5-6,9-13H2,1-2H3,(H,32,37)(H,33,38)(H,39,40)/t17?,19?,22-,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | 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... |
Bioorg Med Chem 13: 6693-702 (2005)
Article DOI: 10.1016/j.bmc.2005.07.022
BindingDB Entry DOI: 10.7270/Q2TD9VM1 |
More data for this
Ligand-Target Pair | |
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