Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 2' and Ligand = 'BDBM50534448' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Relaxin-3 receptor 2
(Homo sapiens (Human)) | BDBM50534448
(CHEMBL4435599)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,t:17| Show InChI InChI=1S/C97H150N28O23/c1-10-54(5)75-87(142)115-65(37-28-42-107-95(103)104)85(140)125-97(9,39-25-15-13-12-14-24-38-96(8,91(147)119-67(82(137)120-75)44-58-31-20-17-21-32-58)124-84(139)64(36-27-41-106-94(101)102)112-73(132)49-110-78(133)61(98)50-126)92(148)123-74(53(3)4)86(141)121-76(55(6)11-2)88(143)116-66(43-57-29-18-16-19-30-57)81(136)122-77(56(7)129)89(144)118-69(51-127)79(134)111-47-71(130)109-48-72(131)113-70(52-128)83(138)114-63(35-26-40-105-93(99)100)80(135)117-68(90(145)146)45-59-46-108-62-34-23-22-33-60(59)62/h12-13,16-23,29-34,46,53-56,61,63-70,74-77,108,126-129H,10-11,14-15,24-28,35-45,47-52,98H2,1-9H3,(H,109,130)(H,110,133)(H,111,134)(H,112,132)(H,113,131)(H,114,138)(H,115,142)(H,116,143)(H,117,135)(H,118,144)(H,119,147)(H,120,137)(H,121,141)(H,122,136)(H,123,148)(H,124,139)(H,125,140)(H,145,146)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/b13-12+/t54-,55-,56+,61-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-,96-,97-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Displacement of Eu-INSL5 from human RXFP4 receptor expressed in CHOK1 cells by time-resolved fluorescent whole cell binding assay |
J Med Chem 59: 7445-56 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00265
BindingDB Entry DOI: 10.7270/Q2CZ3BNG |
More data for this
Ligand-Target Pair | |
Relaxin-3 receptor 2
(Homo sapiens (Human)) | BDBM50534448
(CHEMBL4435599)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,t:17| Show InChI InChI=1S/C97H150N28O23/c1-10-54(5)75-87(142)115-65(37-28-42-107-95(103)104)85(140)125-97(9,39-25-15-13-12-14-24-38-96(8,91(147)119-67(82(137)120-75)44-58-31-20-17-21-32-58)124-84(139)64(36-27-41-106-94(101)102)112-73(132)49-110-78(133)61(98)50-126)92(148)123-74(53(3)4)86(141)121-76(55(6)11-2)88(143)116-66(43-57-29-18-16-19-30-57)81(136)122-77(56(7)129)89(144)118-69(51-127)79(134)111-47-71(130)109-48-72(131)113-70(52-128)83(138)114-63(35-26-40-105-93(99)100)80(135)117-68(90(145)146)45-59-46-108-62-34-23-22-33-60(59)62/h12-13,16-23,29-34,46,53-56,61,63-70,74-77,108,126-129H,10-11,14-15,24-28,35-45,47-52,98H2,1-9H3,(H,109,130)(H,110,133)(H,111,134)(H,112,132)(H,113,131)(H,114,138)(H,115,142)(H,116,143)(H,117,135)(H,118,144)(H,119,147)(H,120,137)(H,121,141)(H,122,136)(H,123,148)(H,124,139)(H,125,140)(H,145,146)(H4,99,100,105)(H4,101,102,106)(H4,103,104,107)/b13-12+/t54-,55-,56+,61-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-,96-,97-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 191 | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXFP4 receptor expressed in CHOK1 cells cotransfected with beta-galactosidase assessed as inhibition of forskolin-stimulate... |
J Med Chem 59: 7445-56 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00265
BindingDB Entry DOI: 10.7270/Q2CZ3BNG |
More data for this
Ligand-Target Pair | |
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