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BDBM86188 CHEMBL366977::SCH 79687

SMILES: Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1

InChI Key: InChIKey=CXNCQFJNXQAFND-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 86188   
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
HRH3


(RAT)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
KEGG

UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1037-44 (2003)


Article DOI: 10.1124/jpet.103.049254
BindingDB Entry DOI: 10.7270/Q24B2ZVV
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
Imidazoline I1


(RAT)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
155n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1037-44 (2003)


Article DOI: 10.1124/jpet.103.049254
BindingDB Entry DOI: 10.7270/Q24B2ZVV
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1037-44 (2003)


Article DOI: 10.1124/jpet.103.049254
BindingDB Entry DOI: 10.7270/Q24B2ZVV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1037-44 (2003)


Article DOI: 10.1124/jpet.103.049254
BindingDB Entry DOI: 10.7270/Q24B2ZVV
More data for this
Ligand-Target Pair