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BDBM50356280 CHEMBL1910952

SMILES: Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O

InChI Key: InChIKey=QBDDCUKCEKLYLG-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50356280   
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))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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UniChem

Similars

Article
PubMed
710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
840n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356280
PNG
(CHEMBL1910952)
Show SMILES Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
Show InChI InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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CHEMBL
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair