BindingDB logo
myBDB logout

BDBM334620 US9732075, Example 3.41::[(2S,4R)-2-(6-Chloro-7-methyl-1H-benzoimidazol-2-yl)-4-methoxy-pyrrolidin-1-yl]-[5-(3-chloro-phenyl)-2-dimethylamino-thiazol-4-yl]-methanone

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(sc1-c1cccc(Cl)c1)N(C)C)c1nc2ccc(Cl)c(C)c2[nH]1

InChI Key: InChIKey=FEJNEXSKTFURIP-APWZRJJASA-N

Data: 2 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 = 334620   
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM334620
PNG
(US9732075, Example 3.41 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(sc1-c1cccc(Cl)c1)N(C)C)c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-13-17(27)8-9-18-20(13)29-23(28-18)19-11-16(34-4)12-32(19)24(33)21-22(35-25(30-21)31(2)3)14-6-5-7-15(26)10-14/h5-10,16,19H,11-12H2,1-4H3,(H,28,29)/t16-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM334620
PNG
(US9732075, Example 3.41 | [(2S,4R)-2-(6-Chloro-7-m...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(sc1-c1cccc(Cl)c1)N(C)C)c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C25H25Cl2N5O2S/c1-13-17(27)8-9-18-20(13)29-23(28-18)19-11-16(34-4)12-32(19)24(33)21-22(35-25(30-21)31(2)3)14-6-5-7-15(26)10-14/h5-10,16,19H,11-12H2,1-4H3,(H,28,29)/t16-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

More data for this
Ligand-Target Pair