Found 3 hits for monomerid = 50430058 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 |
Calcitonin gene-related peptide type 1 receptor
(Homo sapiens (Human)) | BDBM50430058
(CHEMBL2336418)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r| Show InChI InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description Binding affinity to CGRP receptor (unknown origin) |
Bioorg Med Chem Lett 23: 1870-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50430058
(CHEMBL2336418)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r| Show InChI InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate |
Bioorg Med Chem Lett 23: 1870-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50430058
(CHEMBL2336418)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r| Show InChI InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-resorufin as substrate |
Bioorg Med Chem Lett 23: 1870-3 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV |
More data for this Ligand-Target Pair | |