BDBM50047356 CHEMBL3334624
SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCOCC2)cc(C)c1O
InChI Key: InChIKey=HTLWMOKBJQKDIJ-WJOKGBTCSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50047356 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)) | BDBM50047356
![PNG](/data/jpeg/tenK5004/BindingDB_50047356.png) (CHEMBL3334624)Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCOCC2)cc(C)c1O |r| Show InChI InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Antagonist activity against human CGRP receptor |
J Med Chem 57: 7838-58 (2014)
Article DOI: 10.1021/jm500364u BindingDB Entry DOI: 10.7270/Q2RB7675 |
More data for this Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50047356
![PNG](/data/jpeg/tenK5004/BindingDB_50047356.png) (CHEMBL3334624)Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCOCC2)cc(C)c1O |r| Show InChI InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
|
More data for this Ligand-Target Pair | |