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BDBM50192635 5,6-difluoro-N-((1R,3R,6R)-6-(3-((4-methylpiperazin-1-yl)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-N-(3-(4-methylpiperazin-1-yl)propyl)-1H-benzo[d]imidazol-2-amine::CHEMBL214858

SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCN(C)CC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1

InChI Key: InChIKey=ORJXIEFYGFHZJE-HBVNVMGMSA-N

Data: 1 KI  1 IC50

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 = 50192635   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192635
PNG
(5,6-difluoro-N-((1R,3R,6R)-6-(3-((4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCN(C)CC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
Show InChI InChI=1S/C34H47F2N7/c1-39-11-15-41(16-12-39)9-4-10-43(33-37-31-21-29(35)30(36)22-32(31)38-33)28-7-8-34(23-27(34)20-28)26-6-3-5-25(19-26)24-42-17-13-40(2)14-18-42/h3,5-6,19,21-22,27-28H,4,7-18,20,23-24H2,1-2H3,(H,37,38)/t27-,28+,34+/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
321n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1


Bioorg Med Chem Lett 16: 5427-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50192635
PNG
(5,6-difluoro-N-((1R,3R,6R)-6-(3-((4-methylpiperazi...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCN(C)CC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
Show InChI InChI=1S/C34H47F2N7/c1-39-11-15-41(16-12-39)9-4-10-43(33-37-31-21-29(35)30(36)22-32(31)38-33)28-7-8-34(23-27(34)20-28)26-6-3-5-25(19-26)24-42-17-13-40(2)14-18-42/h3,5-6,19,21-22,27-28H,4,7-18,20,23-24H2,1-2H3,(H,37,38)/t27-,28+,34+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126741
More data for this
Ligand-Target Pair