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BDBM126172 US8778957, 19

SMILES: O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1

InChI Key: InChIKey=NHKORSPDGIRXHE-HHHXNRCGSA-N

Data: 2 KI

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 2 hits for monomerid = 126172   
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 (CGRP alpha)


(Homo sapiens (Human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1 |r|
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.90 -11.6n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM126172
PNG
(US8778957, 19)
Show SMILES O=C1COc2ccccc2N1Cc1ccc2cc3C[C@]4(CNc5ncccc45)Cc3cc2n1 |r|
Show InChI InChI=1S/C27H22N4O2/c32-25-15-33-24-6-2-1-5-23(24)31(25)14-20-8-7-17-10-18-12-27(13-19(18)11-22(17)30-20)16-29-26-21(27)4-3-9-28-26/h1-11H,12-16H2,(H,28,29)/t27-/m1/s1
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.20 -11.4n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)

More data for this
Ligand-Target Pair