BindingDB logo
myBDB logout

null

SMILES: CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCNC3CCN(CC3)S(C)(=O)=O)cc2)C1=O)C#N

InChI Key: InChIKey=ZAKVTKDEBWQNDT-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522125   
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
Parathyroid hormone/parathyroid hormone-related peptide receptor


(Homo sapiens (Human))		BDBM50522125
PNG
(CHEMBL4563935)
Show SMILES CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCNC3CCN(CC3)S(C)(=O)=O)cc2)C1=O)C#N |t:3|
Show InChI InChI=1S/C32H42N6O3S/c1-32(2)31(39)38(29-21-23(22-33)9-14-28(29)30(36-32)24-7-5-4-6-8-24)27-12-10-25(11-13-27)34-17-18-35-26-15-19-37(20-16-26)42(3,40)41/h9-14,21,24,26,34-35H,4-8,15-20H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Daiichi Sankyo Co, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human PTHR1 expressed in CHOK1 cells co-expressing Gs/Gq assessed as reduction in human PTH (1 to 34 residues)-induced cAMP ac...

Bioorg Med Chem Lett 29: 2613-2616 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.052
BindingDB Entry DOI: 10.7270/Q2XW4P6F
More data for this
Ligand-Target Pair