Found 2 hits Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 2' and Ligand = 'BDBM50534451' 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)) | BDBM50534451
(CHEMBL4539255)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](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)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| Show InChI InChI=1S/C136H213N43O33S2/c1-15-71(9)106(127(207)166-86(39-27-51-150-134(142)143)115(195)159-74(12)110(190)175-105(70(7)8)126(206)177-107(72(10)16-2)128(208)170-93(57-78-33-21-18-22-34-78)122(202)178-108(76(14)181)129(209)173-97(67-214)114(194)155-61-99(183)154-62-100(184)162-95(65-180)123(203)163-87(40-28-52-151-135(144)145)118(198)171-94(131(211)212)59-80-60-153-84-37-24-23-35-82(80)84)176-121(201)92(56-77-31-19-17-20-32-77)168-119(199)89(47-48-103(187)188)164-116(196)85(38-26-50-149-133(140)141)161-101(185)63-157-113(193)96(66-213)172-120(200)90(55-68(3)4)167-117(197)88(41-29-53-152-136(146)147)165-125(205)104(69(5)6)174-102(186)64-156-112(192)91(58-79-43-45-81(182)46-44-79)169-124(204)98-42-30-54-179(98)130(210)75(13)160-109(189)73(11)158-111(191)83(137)36-25-49-148-132(138)139/h17-24,31-35,37,43-46,60,68-76,83,85-98,104-108,153,180-182,213-214H,15-16,25-30,36,38-42,47-59,61-67,137H2,1-14H3,(H,154,183)(H,155,194)(H,156,192)(H,157,193)(H,158,191)(H,159,195)(H,160,189)(H,161,185)(H,162,184)(H,163,203)(H,164,196)(H,165,205)(H,166,207)(H,167,197)(H,168,199)(H,169,204)(H,170,208)(H,171,198)(H,172,200)(H,173,209)(H,174,186)(H,175,190)(H,176,201)(H,177,206)(H,178,202)(H,187,188)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)/t71-,72-,73-,74-,75-,76+,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,104-,105-,106-,107-,108-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.74E+3 | 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)) | BDBM50534451
(CHEMBL4539255)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](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)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| Show InChI InChI=1S/C136H213N43O33S2/c1-15-71(9)106(127(207)166-86(39-27-51-150-134(142)143)115(195)159-74(12)110(190)175-105(70(7)8)126(206)177-107(72(10)16-2)128(208)170-93(57-78-33-21-18-22-34-78)122(202)178-108(76(14)181)129(209)173-97(67-214)114(194)155-61-99(183)154-62-100(184)162-95(65-180)123(203)163-87(40-28-52-151-135(144)145)118(198)171-94(131(211)212)59-80-60-153-84-37-24-23-35-82(80)84)176-121(201)92(56-77-31-19-17-20-32-77)168-119(199)89(47-48-103(187)188)164-116(196)85(38-26-50-149-133(140)141)161-101(185)63-157-113(193)96(66-213)172-120(200)90(55-68(3)4)167-117(197)88(41-29-53-152-136(146)147)165-125(205)104(69(5)6)174-102(186)64-156-112(192)91(58-79-43-45-81(182)46-44-79)169-124(204)98-42-30-54-179(98)130(210)75(13)160-109(189)73(11)158-111(191)83(137)36-25-49-148-132(138)139/h17-24,31-35,37,43-46,60,68-76,83,85-98,104-108,153,180-182,213-214H,15-16,25-30,36,38-42,47-59,61-67,137H2,1-14H3,(H,154,183)(H,155,194)(H,156,192)(H,157,193)(H,158,191)(H,159,195)(H,160,189)(H,161,185)(H,162,184)(H,163,203)(H,164,196)(H,165,205)(H,166,207)(H,167,197)(H,168,199)(H,169,204)(H,170,208)(H,171,198)(H,172,200)(H,173,209)(H,174,186)(H,175,190)(H,176,201)(H,177,206)(H,178,202)(H,187,188)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)/t71-,72-,73-,74-,75-,76+,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,104-,105-,106-,107-,108-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | 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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