BindingDB logo
myBDB logout

null

SMILES: Clc1ccccc1C1=NC2(CCCC2)C(=O)N1Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41

InChI Key: InChIKey=XPLHYSYAIKHFPT-HKBQPEDESA-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 = 100869   
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


(Homo sapiens (Human))		BDBM100869
PNG
(US8507477, 10)
Show SMILES Clc1ccccc1C1=NC2(CCCC2)C(=O)N1Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r,t:8|
Show InChI InChI=1S/C32H26ClN5O2/c33-25-8-2-1-6-23(25)28-37-32(9-3-4-10-32)30(40)38(28)18-19-12-20-13-21-15-31(16-22(21)14-26(20)35-17-19)24-7-5-11-34-27(24)36-29(31)39/h1-2,5-8,11-14,17H,3-4,9-10,15-16,18H2,(H,34,36,39)/t31-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.30n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
Receptor binding assay.

US Patent US8507477 (2013)


BindingDB Entry DOI: 10.7270/Q20000Q1
More data for this
Ligand-Target Pair