Found 5 hits for monomerid = 50371332 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 |
Bradykinin B1 receptor
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Bradykinin B1 receptor
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human bradikinin B1 receptor by FLIPR assay |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50371332
(CHEMBL258324)Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 18: 716-20 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849 |
More data for this Ligand-Target Pair | |