BDBM50125757 CHEMBL14453::N,N'-(2,2'-(7,7'-(butane-1,4-diylbis(oxy))bis(naphthalene-7,1-diyl))bis(ethane-2,1-diyl))diacetamide::N-[2-(7-{4-[8-(2-Acetylamino-ethyl)-naphthalen-2-yloxy]-butoxy}-naphthalen-1-yl)-ethyl]-acetamide

SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12

InChI Key InChIKey=AGGOYESCDGTCOY-UHFFFAOYSA-N

Data  8 KI  2 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50125757   

TargetMelatonin receptor type 1A(Homo sapiens (Human))
The German University in Cairo

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  0.600nMAssay Description:Binding affinity to MT1 receptor (unknown origin) expressed in HEK cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
The German University in Cairo

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  0.600nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
The German University in Cairo

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  0.600nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
The German University in Cairo

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  3.10nMAssay Description:Displacement of [125I]2-iodomelatonin from human MT1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Université de Lille 2

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  72.7nMAssay Description:Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Université de Lille 2

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  73nMAssay Description:Binding affinity to MT2 receptor (unknown origin) expressed in HEK cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Université de Lille 2

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  73nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Université de Lille 2

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataKi:  167nMAssay Description:Displacement of [125I]2-iodomelatonin from human MT2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Université de Lille 2

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataEC50:  405nMAssay Description:Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
The German University in Cairo

Curated by ChEMBL
LigandPNGBDBM50125757(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
Affinity DataEC50:  73nMAssay Description:Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assayMore data for this Ligand-Target Pair