BDBM50412862 CHEMBL185136

SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1

InChI Key InChIKey=AILCJWWDSWGJPE-IRXDYDNUSA-N

Data  4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50412862   

TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50412862(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
Affinity DataKi:  19.9nMAssay Description:Binding affinity to OX1 receptorMore data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50412862(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
Affinity DataKi:  20nMAssay Description:Binding affinity towards human orexin receptor type 2 was determined using [125I]-Orexin A as radio ligandMore data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50412862(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
Affinity DataKi:  2.51E+3nMAssay Description:Binding affinity to OX2 receptorMore data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50412862(CHEMBL185136)
Show SMILES CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@@H](O1)c1ccccc1
Show InChI InChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
Affinity DataKi:  2.51E+3nMAssay Description:Binding affinity towards human orexin receptor type 1 was determined using [125I]-Orexin A as radio ligandMore data for this Ligand-Target Pair