Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 1' and Ligand = 'BDBM50534444' 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 1
(Homo sapiens (Human)) | BDBM50534444
(CHEMBL4457624)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC)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,c:89| Show InChI InChI=1S/C112H175N33O27/c1-12-63(7)88(141-97(162)77(51-66-32-20-18-21-33-66)136-95(160)75(42-43-86(153)154)133-93(158)72(39-29-47-122-108(115)116)130-85(152)57-128-90(155)80(58-146)139-96(161)76(50-61(3)4)135-92(157)71(129-65(9)149)38-28-46-121-107(113)114)102(167)134-74(41-31-49-124-110(119)120)99(164)144-112(11)45-27-17-15-14-16-26-44-111(10,145-100(165)78(52-67-34-22-19-23-35-67)137-103(168)89(64(8)13-2)142-101(166)87(62(5)6)143-106(112)172)105(171)140-81(59-147)91(156)127-55-83(150)126-56-84(151)131-82(60-148)98(163)132-73(40-30-48-123-109(117)118)94(159)138-79(104(169)170)53-68-54-125-70-37-25-24-36-69(68)70/h14-15,18-25,32-37,54,61-64,71-82,87-89,125,146-148H,12-13,16-17,26-31,38-53,55-60H2,1-11H3,(H,126,150)(H,127,156)(H,128,155)(H,129,149)(H,130,152)(H,131,151)(H,132,163)(H,133,158)(H,134,167)(H,135,157)(H,136,160)(H,137,168)(H,138,159)(H,139,161)(H,140,171)(H,141,162)(H,142,166)(H,143,172)(H,144,164)(H,145,165)(H,153,154)(H,169,170)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/b15-14-/t63-,64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-,88-,89-,111-,112-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 603 | 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-H3/15 from human RXFP3 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 1
(Homo sapiens (Human)) | BDBM50534444
(CHEMBL4457624)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)CC)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,c:89| Show InChI InChI=1S/C112H175N33O27/c1-12-63(7)88(141-97(162)77(51-66-32-20-18-21-33-66)136-95(160)75(42-43-86(153)154)133-93(158)72(39-29-47-122-108(115)116)130-85(152)57-128-90(155)80(58-146)139-96(161)76(50-61(3)4)135-92(157)71(129-65(9)149)38-28-46-121-107(113)114)102(167)134-74(41-31-49-124-110(119)120)99(164)144-112(11)45-27-17-15-14-16-26-44-111(10,145-100(165)78(52-67-34-22-19-23-35-67)137-103(168)89(64(8)13-2)142-101(166)87(62(5)6)143-106(112)172)105(171)140-81(59-147)91(156)127-55-83(150)126-56-84(151)131-82(60-148)98(163)132-73(40-30-48-123-109(117)118)94(159)138-79(104(169)170)53-68-54-125-70-37-25-24-36-69(68)70/h14-15,18-25,32-37,54,61-64,71-82,87-89,125,146-148H,12-13,16-17,26-31,38-53,55-60H2,1-11H3,(H,126,150)(H,127,156)(H,128,155)(H,129,149)(H,130,152)(H,131,151)(H,132,163)(H,133,158)(H,134,167)(H,135,157)(H,136,160)(H,137,168)(H,138,159)(H,139,161)(H,140,171)(H,141,162)(H,142,166)(H,143,172)(H,144,164)(H,145,165)(H,153,154)(H,169,170)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/b15-14-/t63-,64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-,88-,89-,111-,112-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a |
Kobe Gakuin University
Curated by ChEMBL
| Assay Description
Agonist activity at human RXFP3 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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