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BDBM50190232 CHEMBL212896::thiophene-3-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide

SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccsc2)c2ccccc12

InChI Key: InChIKey=GADJREFUWACGBC-UHFFFAOYSA-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 = 50190232   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50190232
PNG
(CHEMBL212896 | thiophene-3-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccsc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C23H22ClN5OS/c1-27-9-11-28(12-10-27)22-18-4-2-3-5-20(18)29(26-23(30)16-8-13-31-15-16)21-7-6-17(24)14-19(21)25-22/h2-8,13-15H,9-12H2,1H3,(H,26,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50190232
PNG
(CHEMBL212896 | thiophene-3-carboxylic acid [8-chlo...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccsc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C23H22ClN5OS/c1-27-9-11-28(12-10-27)22-18-4-2-3-5-20(18)29(26-23(30)16-8-13-31-15-16)21-7-6-17(24)14-19(21)25-22/h2-8,13-15H,9-12H2,1H3,(H,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 4543-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.022
BindingDB Entry DOI: 10.7270/Q2GT5MSW
More data for this
Ligand-Target Pair