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SMILES: CN1CCOCCOC\C=C\c2cnc3NC(=O)[C@]4(Cc5cc(cnc5C4)C(=O)N[C@H](Cc4cc(C)c5[nH]ncc5c4)C1=O)c3c2

InChI Key: InChIKey=SKPSTNHVXHTZKY-KCZNNWAOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50541413   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))		BDBM50541413
PNG
(CHEMBL4649671)
Show SMILES CN1CCOCCOC\C=C\c2cnc3NC(=O)[C@]4(Cc5cc(cnc5C4)C(=O)N[C@H](Cc4cc(C)c5[nH]ncc5c4)C1=O)c3c2 |r,t:9|
Show InChI InChI=1S/C34H35N7O5/c1-20-10-22(11-24-19-37-40-29(20)24)13-27-32(43)41(2)5-7-46-9-8-45-6-3-4-21-12-26-30(36-17-21)39-33(44)34(26)15-23-14-25(31(42)38-27)18-35-28(23)16-34/h3-4,10-12,14,17-19,27H,5-9,13,15-16H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t27-,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
 0.25n/an/an/an/an/an/an/an/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