Found 5 hits for monomerid = 50243822 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-4
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075 BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this Ligand-Target Pair | |