Found 3 hits for monomerid = 50445184 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50445184
(CHEMBL412459)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C91H148N28O24/c1-17-48(12)73(89(142)117-63(31-47(10)11)88(141)119-74(52(16)120)90(143)110-59(75(94)128)27-43(2)3)118-71(125)40-101-77(130)50(14)106-78(131)51(15)107-82(135)66(34-55-37-98-42-104-55)116-87(140)67(35-68(93)122)108-70(124)39-100-76(129)49(13)105-69(123)38-102-80(133)65(33-54-36-97-41-103-54)115-85(138)62(30-46(8)9)113-84(137)61(29-45(6)7)112-81(134)58(24-25-72(126)127)109-86(139)64(32-53-20-22-56(121)23-21-53)114-83(136)60(28-44(4)5)111-79(132)57(92)19-18-26-99-91(95)96/h20-23,36-37,41-52,57-67,73-74,120-121H,17-19,24-35,38-40,92H2,1-16H3,(H2,93,122)(H2,94,128)(H,97,103)(H,98,104)(H,100,129)(H,101,130)(H,102,133)(H,105,123)(H,106,131)(H,107,135)(H,108,124)(H,109,139)(H,110,143)(H,111,132)(H,112,134)(H,113,137)(H,114,136)(H,115,138)(H,116,140)(H,117,142)(H,118,125)(H,119,141)(H,126,127)(H4,95,96,99)/t48-,49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to Orexin receptor type 1 was determined using laser scanning cytometry |
Bioorg Med Chem Lett 11: 737-40 (2001)
BindingDB Entry DOI: 10.7270/Q2988955 |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50445184
(CHEMBL412459)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C91H148N28O24/c1-17-48(12)73(89(142)117-63(31-47(10)11)88(141)119-74(52(16)120)90(143)110-59(75(94)128)27-43(2)3)118-71(125)40-101-77(130)50(14)106-78(131)51(15)107-82(135)66(34-55-37-98-42-104-55)116-87(140)67(35-68(93)122)108-70(124)39-100-76(129)49(13)105-69(123)38-102-80(133)65(33-54-36-97-41-103-54)115-85(138)62(30-46(8)9)113-84(137)61(29-45(6)7)112-81(134)58(24-25-72(126)127)109-86(139)64(32-53-20-22-56(121)23-21-53)114-83(136)60(28-44(4)5)111-79(132)57(92)19-18-26-99-91(95)96/h20-23,36-37,41-52,57-67,73-74,120-121H,17-19,24-35,38-40,92H2,1-16H3,(H2,93,122)(H2,94,128)(H,97,103)(H,98,104)(H,100,129)(H,101,130)(H,102,133)(H,105,123)(H,106,131)(H,107,135)(H,108,124)(H,109,139)(H,110,143)(H,111,132)(H,112,134)(H,113,137)(H,114,136)(H,115,138)(H,116,140)(H,117,142)(H,118,125)(H,119,141)(H,126,127)(H4,95,96,99)/t48-,49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 64 | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Agonist activity at human OX1 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay |
ACS Med Chem Lett 4: 1224-1227 (2013)
Article DOI: 10.1021/ml400333a BindingDB Entry DOI: 10.7270/Q2VD70ZQ |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50445184
(CHEMBL412459)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C91H148N28O24/c1-17-48(12)73(89(142)117-63(31-47(10)11)88(141)119-74(52(16)120)90(143)110-59(75(94)128)27-43(2)3)118-71(125)40-101-77(130)50(14)106-78(131)51(15)107-82(135)66(34-55-37-98-42-104-55)116-87(140)67(35-68(93)122)108-70(124)39-100-76(129)49(13)105-69(123)38-102-80(133)65(33-54-36-97-41-103-54)115-85(138)62(30-46(8)9)113-84(137)61(29-45(6)7)112-81(134)58(24-25-72(126)127)109-86(139)64(32-53-20-22-56(121)23-21-53)114-83(136)60(28-44(4)5)111-79(132)57(92)19-18-26-99-91(95)96/h20-23,36-37,41-52,57-67,73-74,120-121H,17-19,24-35,38-40,92H2,1-16H3,(H2,93,122)(H2,94,128)(H,97,103)(H,98,104)(H,100,129)(H,101,130)(H,102,133)(H,105,123)(H,106,131)(H,107,135)(H,108,124)(H,109,139)(H,110,143)(H,111,132)(H,112,134)(H,113,137)(H,114,136)(H,115,138)(H,116,140)(H,117,142)(H,118,125)(H,119,141)(H,126,127)(H4,95,96,99)/t48-,49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 976 | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Agonist activity at human OX2 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay |
ACS Med Chem Lett 4: 1224-1227 (2013)
Article DOI: 10.1021/ml400333a BindingDB Entry DOI: 10.7270/Q2VD70ZQ |
More data for this Ligand-Target Pair | |