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Compile Data Set for Download or QSAR

Found 434 hits with Last Name = 'hossain' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558038
PNG
(CHEMBL4798311)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558038
PNG
(CHEMBL4798311)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558042
PNG
(CHEMBL4760798)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558042
PNG
(CHEMBL4760798)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558040
PNG
(CHEMBL4791094)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558040
PNG
(CHEMBL4791094)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558043
PNG
(CHEMBL4742346)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558043
PNG
(CHEMBL4742346)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558044
PNG
(CHEMBL4796474)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558044
PNG
(CHEMBL4796474)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50547989
PNG
(CHEMBL4747872)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50547989
PNG
(CHEMBL4747872)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558039
PNG
(CHEMBL4752265)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)C1CCC(=O)N1)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558039
PNG
(CHEMBL4752265)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)C1CCC(=O)N1)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50547990
PNG
(CHEMBL4799795)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive binding affinity to human RXFP4 receptor transfected in CHO-K1 cells in presence of europium-labeled Eu(A)-R3/I5 by fluorometric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00435
BindingDB Entry DOI: 10.7270/Q20Z76W2
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50547989
PNG
(CHEMBL4747872)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive binding affinity to human RXFP4 receptor transfected in CHO-K1 cells in presence of europium-labeled Eu(A)-R3/I5 by fluorometric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00435
BindingDB Entry DOI: 10.7270/Q20Z76W2
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50561918
PNG
(CHEMBL4761849)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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](CCCNC(N)=N)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)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|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00456
BindingDB Entry DOI: 10.7270/Q2G73JFZ
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50547991
PNG
(CHEMBL4740938)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive binding affinity to human RXFP4 receptor transfected in CHO-K1 cells in presence of europium-labeled Eu(A)-R3/I5 by fluorometric analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00435
BindingDB Entry DOI: 10.7270/Q20Z76W2
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50534445
PNG
(CHEMBL4476408)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CN)C(C)C)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/C116H185N35O27/c1-14-65(9)90-105(172)138-76(43-33-49-129-114(124)125)102(169)151-116(13,45-29-19-17-16-18-28-44-115(12,109(177)144-79(99(166)146-90)52-69-36-24-21-25-37-69)150-101(168)75(42-32-48-128-113(122)123)134-87(159)58-133-93(160)81(59-152)142-97(164)77(50-62(3)4)139-95(162)74(41-31-47-127-112(120)121)137-103(170)88(63(5)6)145-84(156)54-117)110(178)149-89(64(7)8)104(171)147-91(66(10)15-2)106(173)140-78(51-68-34-22-20-23-35-68)98(165)148-92(67(11)155)107(174)143-82(60-153)94(161)132-56-85(157)131-57-86(158)135-83(61-154)100(167)136-73(40-30-46-126-111(118)119)96(163)141-80(108(175)176)53-70-55-130-72-39-27-26-38-71(70)72/h16-17,20-27,34-39,55,62-67,73-83,88-92,130,152-155H,14-15,18-19,28-33,40-54,56-61,117H2,1-13H3,(H,131,157)(H,132,161)(H,133,160)(H,134,159)(H,135,158)(H,136,167)(H,137,170)(H,138,172)(H,139,162)(H,140,173)(H,141,163)(H,142,164)(H,143,174)(H,144,177)(H,145,156)(H,146,166)(H,147,171)(H,148,165)(H,149,178)(H,150,168)(H,151,169)(H,175,176)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)(H4,124,125,129)/b17-16+/t65-,66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-,91-,92-,115-,116-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
93n/an/an/an/an/an/an/an/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))
BDBM50534442
PNG
(CHEMBL4438620)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)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/C111H175N33O26/c1-13-62(7)86-100(164)132-74(42-32-48-123-109(118)119)98(162)144-111(12,44-28-18-16-15-17-27-43-110(11,104(169)138-77(95(159)139-86)51-67-35-23-20-24-36-67)143-97(161)73(41-31-47-122-108(116)117)129-84(152)56-127-89(153)79(57-145)136-93(157)75(49-60(3)4)133-91(155)71(128-65(10)149)39-29-45-120-106(112)113)105(170)142-85(61(5)6)99(163)140-87(63(8)14-2)101(165)134-76(50-66-33-21-19-22-34-66)94(158)141-88(64(9)148)102(166)137-80(58-146)90(154)126-54-82(150)125-55-83(151)130-81(59-147)96(160)131-72(40-30-46-121-107(114)115)92(156)135-78(103(167)168)52-68-53-124-70-38-26-25-37-69(68)70/h15-16,19-26,33-38,53,60-64,71-81,85-88,124,145-148H,13-14,17-18,27-32,39-52,54-59H2,1-12H3,(H,125,150)(H,126,154)(H,127,153)(H,128,149)(H,129,152)(H,130,151)(H,131,160)(H,132,164)(H,133,155)(H,134,165)(H,135,156)(H,136,157)(H,137,166)(H,138,169)(H,139,159)(H,140,163)(H,141,158)(H,142,170)(H,143,161)(H,144,162)(H,167,168)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/b16-15+/t62-,63-,64+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,110-,111-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
107n/an/an/an/an/an/an/an/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))
BDBM50382993
PNG
(CHEMBL2030702)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(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](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:222.226,85.87,105.107,117.120,124.127,140.143,148.151,155.158,70.72,47.47,38.38,23.23,8.8,2.2,196.200,182.186,178.206,wD:167.172,173.209,216.220,233.237,76.78,96.98,116.119,135.138,147.150,61.63,32.32,17.17,4.3,190.194,166.170,(25.92,-18.94,;25.92,-17.4,;27.27,-16.63,;28.6,-17.41,;27.27,-15.09,;25.94,-14.32,;24.6,-15.09,;24.59,-16.63,;23.27,-14.31,;23.27,-12.77,;24.61,-12,;24.62,-10.46,;23.29,-9.69,;25.95,-9.7,;21.93,-15.07,;20.6,-14.3,;20.61,-12.76,;19.27,-15.06,;19.26,-16.6,;20.6,-17.38,;17.93,-14.29,;16.6,-15.05,;16.59,-16.6,;15.27,-14.27,;15.27,-12.73,;16.61,-11.97,;16.61,-10.43,;17.95,-9.67,;17.96,-8.13,;13.93,-15.04,;12.6,-14.27,;12.6,-12.73,;11.26,-15.03,;11.26,-16.57,;12.59,-17.35,;9.93,-14.26,;8.6,-15.03,;8.59,-16.57,;7.26,-14.25,;7.27,-12.71,;5.92,-15.01,;4.6,-14.24,;4.6,-12.7,;3.26,-15,;1.93,-14.23,;.59,-14.99,;.59,-16.54,;-.74,-14.22,;-.74,-12.68,;.6,-11.91,;2,-12.54,;3.02,-11.4,;2.26,-10.07,;2.75,-8.61,;1.72,-7.46,;.21,-7.78,;-.26,-9.24,;.77,-10.38,;-2.07,-14.98,;-3.41,-14.21,;-3.4,-12.67,;-4.75,-14.98,;-4.75,-16.52,;-3.42,-17.29,;-3.42,-18.83,;-2.09,-19.61,;-2.1,-21.15,;-6.08,-14.2,;-7.41,-14.96,;-7.42,-16.5,;-8.75,-14.19,;-10.08,-14.95,;-8.74,-12.65,;-7.4,-11.89,;-7.34,-5.74,;-8.22,-4.3,;-8.22,-2.34,;-9.55,-3.12,;-6.88,-3.11,;-6.88,-4.66,;-5.55,-2.35,;-4.22,-3.12,;-2.89,-2.35,;-2.89,-.82,;-1.54,-3.12,;-.21,-2.35,;-.21,-.82,;1.12,-.04,;1.12,1.49,;2.46,2.26,;2.46,3.8,;1.12,4.57,;3.79,4.57,;1.12,-3.13,;1.12,-4.67,;2.46,-2.36,;3.79,-3.13,;3.79,-4.67,;5.12,-5.44,;5.12,-6.99,;3.78,-7.76,;6.44,-7.75,;5.12,-2.36,;5.12,-.82,;6.45,-3.13,;7.78,-2.37,;7.78,-.83,;9.12,-.06,;10.46,-.83,;11.79,-.06,;11.79,1.48,;10.45,2.25,;9.12,1.48,;9.12,-3.14,;9.12,-4.68,;10.45,-2.37,;11.79,-3.14,;11.79,-4.68,;13.12,-5.45,;10.45,-5.45,;10.45,-6.99,;13.12,-2.37,;13.12,-.83,;14.46,-3.15,;15.79,-2.37,;15.79,-.84,;17.12,-.07,;17.12,1.47,;18.46,2.24,;18.46,3.78,;17.13,4.54,;19.8,4.55,;17.12,-3.14,;17.12,-4.69,;18.45,-2.38,;19.79,-3.15,;19.79,-4.7,;21.12,-2.38,;21.12,-.85,;22.46,-3.15,;23.79,-2.38,;23.79,-.85,;25.12,-.07,;22.46,-.08,;25.12,-3.16,;25.12,-4.7,;26.46,-2.39,;27.8,-3.16,;27.8,-4.7,;29.12,-5.47,;26.46,-5.47,;26.46,-7.01,;29.12,-2.39,;29.12,-.85,;30.46,-3.16,;31.8,-2.4,;31.8,-.86,;33.13,-.09,;34.46,-.86,;35.8,-.09,;35.8,1.44,;34.47,2.22,;33.14,1.45,;33.13,-3.17,;33.13,-4.71,;34.46,-2.4,;35.8,-3.17,;35.8,-4.71,;34.46,-5.48,;37.13,-5.49,;37.13,-2.4,;37.13,-.86,;38.47,-3.18,;39.8,-2.4,;39.78,-3.94,;39.01,-5.26,;42.49,-12.28,;43.26,-13.62,;43.27,-15.15,;41.94,-14.38,;40.61,-15.14,;40.61,-16.68,;39.28,-14.37,;39.27,-12.83,;38.5,-11.48,;36.96,-11.49,;39.27,-10.14,;37.94,-15.14,;36.61,-14.36,;36.61,-12.82,;35.27,-15.12,;35.26,-16.66,;36.59,-17.44,;33.95,-14.35,;32.6,-15.11,;32.6,-16.65,;31.27,-14.34,;31.28,-12.8,;32.62,-12.03,;29.94,-15.11,;28.6,-14.33,;28.61,-12.79,;44.62,-14.39,;45.95,-15.16,;44.62,-12.84,;41.13,-3.17,;41.13,-4.72,;42.47,-2.41,;43.81,-3.18,;45.13,-2.41,;45.13,-.88,;46.47,-3.18,;47.8,-2.41,;49.14,-3.19,;49.14,-4.73,;50.47,-2.42,;51.81,-3.19,;51.81,-4.73,;53.14,-5.5,;53.14,-2.42,;53.14,-.88,;54.47,-3.19,;55.81,-2.43,;55.81,-.89,;57.14,-.12,;57.14,1.42,;58.48,2.19,;58.48,3.73,;57.15,4.5,;59.81,4.5,;57.14,-3.2,;57.14,-4.75,;58.47,-2.43,;59.81,-3.2,;59.81,-4.74,;61.14,-5.52,;62.54,-4.89,;63.58,-6.04,;62.81,-7.37,;63.27,-8.83,;62.24,-9.97,;60.74,-9.65,;60.26,-8.19,;61.3,-7.05,;61.14,-2.43,;62.48,-3.21,;61.14,-.9,)|
Show InChI InChI=1S/C154H239N45O44S4/c1-14-78(8)120-146(236)183-97(45-32-54-166-153(161)162)130(220)175-82(12)125(215)195-119(77(6)7)145(235)198-122(80(10)16-3)147(237)187-103(58-85-36-21-18-22-37-85)139(229)199-123(83(13)205)149(239)193-111(129(219)172-63-113(206)170-64-115(208)177-106(67-200)140(230)180-98(46-33-55-167-154(163)164)133(223)188-105(150(240)241)60-87-62-169-93-41-26-24-39-89(87)93)74-246-247-75-112(151(242)243)194-137(227)101(56-76(4)5)184-143(233)109(70-203)191-144(234)110(71-204)192-148(238)121(79(9)15-2)196-136(226)100(48-50-118(212)213)182-142(232)108(69-202)190-134(224)96(43-28-30-52-156)179-141(231)107(68-201)189-124(214)81(11)174-114(207)65-173-128(218)104(59-86-61-168-92-40-25-23-38-88(86)92)186-132(222)95(42-27-29-51-155)178-127(217)91(158)73-245-244-72-90(157)126(216)171-66-116(209)176-94(44-31-53-165-152(159)160)131(221)181-99(47-49-117(210)211)135(225)185-102(138(228)197-120)57-84-34-19-17-20-35-84/h17-26,34-41,61-62,76-83,90-91,94-112,119-123,168-169,200-205H,14-16,27-33,42-60,63-75,155-158H2,1-13H3,(H,170,206)(H,171,216)(H,172,219)(H,173,218)(H,174,207)(H,175,220)(H,176,209)(H,177,208)(H,178,217)(H,179,231)(H,180,230)(H,181,221)(H,182,232)(H,183,236)(H,184,233)(H,185,225)(H,186,222)(H,187,237)(H,188,223)(H,189,214)(H,190,224)(H,191,234)(H,192,238)(H,193,239)(H,194,227)(H,195,215)(H,196,226)(H,197,228)(H,198,235)(H,199,229)(H,210,211)(H,212,213)(H,240,241)(H,242,243)(H4,159,160,165)(H4,161,162,166)(H4,163,164,167)/t78-,79-,80-,81-,82-,83+,90-,91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-,123-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cells


J Med Chem 55: 1671-81 (2012)


Article DOI: 10.1021/jm201505p
BindingDB Entry DOI: 10.7270/Q2HH6M3H
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50534454
PNG
(CHEMBL4540069)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)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/C109H173N33O25/c1-12-61(7)84-98(161)130-72(41-31-47-122-107(117)118)96(159)142-109(11,43-27-17-15-14-16-26-42-108(10,102(166)136-75(93(156)137-84)50-65-34-22-19-23-35-65)141-95(158)71(40-30-46-121-106(115)116)127-82(149)55-126-88(151)77(56-143)134-91(154)73(48-59(3)4)131-87(150)68(110)37-28-44-119-104(111)112)103(167)140-83(60(5)6)97(160)138-85(62(8)13-2)99(162)132-74(49-64-32-20-18-21-33-64)92(155)139-86(63(9)146)100(163)135-78(57-144)89(152)125-53-80(147)124-54-81(148)128-79(58-145)94(157)129-70(39-29-45-120-105(113)114)90(153)133-76(101(164)165)51-66-52-123-69-38-25-24-36-67(66)69/h14-15,18-25,32-36,38,52,59-63,68,70-79,83-86,123,143-146H,12-13,16-17,26-31,37,39-51,53-58,110H2,1-11H3,(H,124,147)(H,125,152)(H,126,151)(H,127,149)(H,128,148)(H,129,157)(H,130,161)(H,131,150)(H,132,162)(H,133,153)(H,134,154)(H,135,163)(H,136,166)(H,137,156)(H,138,160)(H,139,155)(H,140,167)(H,141,158)(H,142,159)(H,164,165)(H4,111,112,119)(H4,113,114,120)(H4,115,116,121)(H4,117,118,122)/b15-14+/t61-,62-,63+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-,86-,108-,109-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/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))
BDBM50561920
PNG
(CHEMBL4764969)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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](CCCNC(N)=N)N[C@H](COC(N)=O)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)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|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00456
BindingDB Entry DOI: 10.7270/Q2G73JFZ
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50382992
PNG
(CHEMBL2030701)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)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)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](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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/C166H262N50O46S4/c1-16-85(10)129-157(255)198-104(49-35-59-181-165(175)176)140(238)190-89(14)134(232)212-128(84(8)9)156(254)215-131(87(12)18-3)158(256)203-111(64-92-39-23-20-24-40-92)150(248)216-132(90(15)222)160(258)210-120(139(237)186-69-122(223)185-70-124(225)192-114(73-217)151(249)195-105(50-36-60-182-166(177)178)143(241)204-113(161(259)260)66-94-68-184-100-45-28-26-42-96(94)100)80-265-266-81-121(162(261)262)211-148(246)109(62-83(6)7)200-154(252)117(76-220)207-155(253)118(77-221)208-159(257)130(86(11)17-2)213-146(244)107(52-54-127(229)230)197-153(251)116(75-219)206-144(242)103(47-30-32-56-168)194-152(250)115(74-218)205-133(231)88(13)189-123(224)71-187-137(235)112(65-93-67-183-99-44-27-25-41-95(93)99)202-142(240)102(46-29-31-55-167)193-136(234)98(170)78-263-264-79-119(209-147(245)108(61-82(4)5)199-135(233)97(169)43-33-57-179-163(171)172)138(236)188-72-125(226)191-101(48-34-58-180-164(173)174)141(239)196-106(51-53-126(227)228)145(243)201-110(149(247)214-129)63-91-37-21-19-22-38-91/h19-28,37-42,44-45,67-68,82-90,97-98,101-121,128-132,183-184,217-222H,16-18,29-36,43,46-66,69-81,167-170H2,1-15H3,(H,185,223)(H,186,237)(H,187,235)(H,188,236)(H,189,224)(H,190,238)(H,191,226)(H,192,225)(H,193,234)(H,194,250)(H,195,249)(H,196,239)(H,197,251)(H,198,255)(H,199,233)(H,200,252)(H,201,243)(H,202,240)(H,203,256)(H,204,241)(H,205,231)(H,206,242)(H,207,253)(H,208,257)(H,209,245)(H,210,258)(H,211,246)(H,212,232)(H,213,244)(H,214,247)(H,215,254)(H,216,248)(H,227,228)(H,229,230)(H,259,260)(H,261,262)(H4,171,172,179)(H4,173,174,180)(H4,175,176,181)(H4,177,178,182)/t85-,86-,87-,88-,89-,90+,97-,98-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,128-,129-,130-,131-,132-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cells


J Med Chem 55: 1671-81 (2012)


Article DOI: 10.1021/jm201505p
BindingDB Entry DOI: 10.7270/Q2HH6M3H
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50382991
PNG
(CHEMBL2030700)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)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)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](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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/C173H274N52O48S4/c1-18-89(12)135-164(266)206-107(50-36-60-187-171(180)181)145(247)197-93(16)140(242)221-134(88(10)11)163(265)224-137(91(14)20-3)165(267)211-115(66-96-41-25-22-26-42-96)156(258)225-138(94(17)231)167(269)218-124(144(246)193-72-127(233)192-73-129(235)199-118(76-226)157(259)202-108(51-37-61-188-172(182)183)149(251)212-117(168(270)271)68-98-71-191-103-46-30-28-44-100(98)103)83-276-277-84-125(169(272)273)219-154(256)113(64-86(6)7)208-160(262)121(79-229)215-161(263)122(80-230)216-166(268)136(90(13)19-2)222-152(254)111(54-56-132(239)240)204-159(261)120(78-228)214-150(252)106(48-32-34-58-175)201-158(260)119(77-227)213-139(241)92(15)196-128(234)74-194-142(244)116(67-97-70-190-102-45-29-27-43-99(97)102)210-147(249)105(47-31-33-57-174)200-141(243)101(177)81-274-275-82-123(217-153(255)112(63-85(4)5)207-148(250)109(52-38-62-189-173(184)185)205-162(264)133(87(8)9)220-126(232)69-176)143(245)195-75-130(236)198-104(49-35-59-186-170(178)179)146(248)203-110(53-55-131(237)238)151(253)209-114(155(257)223-135)65-95-39-23-21-24-40-95/h21-30,39-46,70-71,85-94,101,104-125,133-138,190-191,226-231H,18-20,31-38,47-69,72-84,174-177H2,1-17H3,(H,192,233)(H,193,246)(H,194,244)(H,195,245)(H,196,234)(H,197,247)(H,198,236)(H,199,235)(H,200,243)(H,201,260)(H,202,259)(H,203,248)(H,204,261)(H,205,264)(H,206,266)(H,207,250)(H,208,262)(H,209,253)(H,210,249)(H,211,267)(H,212,251)(H,213,241)(H,214,252)(H,215,263)(H,216,268)(H,217,255)(H,218,269)(H,219,256)(H,220,232)(H,221,242)(H,222,254)(H,223,257)(H,224,265)(H,225,258)(H,237,238)(H,239,240)(H,270,271)(H,272,273)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t89-,90-,91-,92-,93-,94+,101-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,133-,134-,135-,136-,137-,138-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cells


J Med Chem 55: 1671-81 (2012)


Article DOI: 10.1021/jm201505p
BindingDB Entry DOI: 10.7270/Q2HH6M3H
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50534442
PNG
(CHEMBL4438620)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)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/C111H175N33O26/c1-13-62(7)86-100(164)132-74(42-32-48-123-109(118)119)98(162)144-111(12,44-28-18-16-15-17-27-43-110(11,104(169)138-77(95(159)139-86)51-67-35-23-20-24-36-67)143-97(161)73(41-31-47-122-108(116)117)129-84(152)56-127-89(153)79(57-145)136-93(157)75(49-60(3)4)133-91(155)71(128-65(10)149)39-29-45-120-106(112)113)105(170)142-85(61(5)6)99(163)140-87(63(8)14-2)101(165)134-76(50-66-33-21-19-22-34-66)94(158)141-88(64(9)148)102(166)137-80(58-146)90(154)126-54-82(150)125-55-83(151)130-81(59-147)96(160)131-72(40-30-46-121-107(114)115)92(156)135-78(103(167)168)52-68-53-124-70-38-26-25-37-69(68)70/h15-16,19-26,33-38,53,60-64,71-81,85-88,124,145-148H,13-14,17-18,27-32,39-52,54-59H2,1-12H3,(H,125,150)(H,126,154)(H,127,153)(H,128,149)(H,129,152)(H,130,151)(H,131,160)(H,132,164)(H,133,155)(H,134,165)(H,135,156)(H,136,157)(H,137,166)(H,138,169)(H,139,159)(H,140,163)(H,141,158)(H,142,170)(H,143,161)(H,144,162)(H,167,168)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/b16-15+/t62-,63-,64+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,110-,111-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
123n/an/an/an/an/an/an/an/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382173
PNG
(CHEMBL2022157)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
145n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558041
PNG
(CHEMBL4783899)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
145n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558041
PNG
(CHEMBL4783899)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
145n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382173
PNG
(CHEMBL2022157)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50534448
PNG
(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
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151n/an/an/an/an/an/an/an/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382170
PNG
(CHEMBL2022154)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22-/m0/s1
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153n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382170
PNG
(CHEMBL2022154)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22-/m0/s1
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153n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50561919
PNG
(CHEMBL4781389)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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](CCCNC(N)=N)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H](NC(C)=O)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)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|
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186n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00456
BindingDB Entry DOI: 10.7270/Q2G73JFZ
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50561922
PNG
(CHEMBL4799017)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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](CCCNC(N)=N)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)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|
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191n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00456
BindingDB Entry DOI: 10.7270/Q2G73JFZ
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50534443
PNG
(CHEMBL4447532)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)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/C118H187N35O28/c1-15-66(9)92-107(175)140-78(44-34-50-130-116(125)126)104(172)153-118(14,46-30-20-18-17-19-29-45-117(13,111(180)146-81(101(169)148-92)53-71-37-25-22-26-38-71)152-103(171)77(43-33-49-129-115(123)124)136-88(161)59-135-95(163)83(60-154)144-99(167)79(51-63(3)4)141-97(165)76(42-32-48-128-114(121)122)139-105(173)90(64(5)6)147-89(162)57-131-69(12)158)112(181)151-91(65(7)8)106(174)149-93(67(10)16-2)108(176)142-80(52-70-35-23-21-24-36-70)100(168)150-94(68(11)157)109(177)145-84(61-155)96(164)134-56-86(159)133-58-87(160)137-85(62-156)102(170)138-75(41-31-47-127-113(119)120)98(166)143-82(110(178)179)54-72-55-132-74-40-28-27-39-73(72)74/h17-18,21-28,35-40,55,63-68,75-85,90-94,132,154-157H,15-16,19-20,29-34,41-54,56-62H2,1-14H3,(H,131,158)(H,133,159)(H,134,164)(H,135,163)(H,136,161)(H,137,160)(H,138,170)(H,139,173)(H,140,175)(H,141,165)(H,142,176)(H,143,166)(H,144,167)(H,145,177)(H,146,180)(H,147,162)(H,148,169)(H,149,174)(H,150,168)(H,151,181)(H,152,171)(H,153,172)(H,178,179)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)(H4,125,126,130)/b18-17+/t66-,67-,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,90-,91-,92-,93-,94-,117-,118-/m0/s1
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229n/an/an/an/an/an/an/an/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50347133
PNG
(CHEMBL1439099)
Show SMILES CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
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256n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50347133
PNG
(CHEMBL1439099)
Show SMILES CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
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256n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
Relaxin-3 receptor 1


(Homo sapiens (Human))
BDBM50534453
PNG
(CHEMBL4557279)
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](CO)NC(C)=O)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/C99H152N28O24/c1-11-55(5)77-89(145)117-66(38-29-43-108-97(104)105)87(143)127-99(10,40-26-16-14-13-15-25-39-98(9,93(150)121-68(84(140)122-77)45-60-32-21-18-22-33-60)126-86(142)65(37-28-42-107-96(102)103)114-75(135)50-112-80(136)70(51-128)113-58(8)132)94(151)125-76(54(3)4)88(144)123-78(56(6)12-2)90(146)118-67(44-59-30-19-17-20-31-59)83(139)124-79(57(7)131)91(147)120-71(52-129)81(137)111-48-73(133)110-49-74(134)115-72(53-130)85(141)116-64(36-27-41-106-95(100)101)82(138)119-69(92(148)149)46-61-47-109-63-35-24-23-34-62(61)63/h13-14,17-24,30-35,47,54-57,64-72,76-79,109,128-131H,11-12,15-16,25-29,36-46,48-53H2,1-10H3,(H,110,133)(H,111,137)(H,112,136)(H,113,132)(H,114,135)(H,115,134)(H,116,141)(H,117,145)(H,118,146)(H,119,138)(H,120,147)(H,121,150)(H,122,140)(H,123,144)(H,124,139)(H,125,151)(H,126,142)(H,127,143)(H,148,149)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/b14-13+/t55-,56-,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-,79-,98-,99-/m0/s1
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275n/an/an/an/an/an/an/an/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 2


(Homo sapiens (Human))
BDBM50534445
PNG
(CHEMBL4476408)
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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CN)C(C)C)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/C116H185N35O27/c1-14-65(9)90-105(172)138-76(43-33-49-129-114(124)125)102(169)151-116(13,45-29-19-17-16-18-28-44-115(12,109(177)144-79(99(166)146-90)52-69-36-24-21-25-37-69)150-101(168)75(42-32-48-128-113(122)123)134-87(159)58-133-93(160)81(59-152)142-97(164)77(50-62(3)4)139-95(162)74(41-31-47-127-112(120)121)137-103(170)88(63(5)6)145-84(156)54-117)110(178)149-89(64(7)8)104(171)147-91(66(10)15-2)106(173)140-78(51-68-34-22-20-23-35-68)98(165)148-92(67(11)155)107(174)143-82(60-153)94(161)132-56-85(157)131-57-86(158)135-83(61-154)100(167)136-73(40-30-46-126-111(118)119)96(163)141-80(108(175)176)53-70-55-130-72-39-27-26-38-71(70)72/h16-17,20-27,34-39,55,62-67,73-83,88-92,130,152-155H,14-15,18-19,28-33,40-54,56-61,117H2,1-13H3,(H,131,157)(H,132,161)(H,133,160)(H,134,159)(H,135,158)(H,136,167)(H,137,170)(H,138,172)(H,139,162)(H,140,173)(H,141,163)(H,142,164)(H,143,174)(H,144,177)(H,145,156)(H,146,166)(H,147,171)(H,148,165)(H,149,178)(H,150,168)(H,151,169)(H,175,176)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)(H4,124,125,129)/b17-16+/t65-,66-,67+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-,91-,92-,115-,116-/m0/s1
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275n/an/an/an/an/an/an/an/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))
BDBM50534453
PNG
(CHEMBL4557279)
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](CO)NC(C)=O)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/C99H152N28O24/c1-11-55(5)77-89(145)117-66(38-29-43-108-97(104)105)87(143)127-99(10,40-26-16-14-13-15-25-39-98(9,93(150)121-68(84(140)122-77)45-60-32-21-18-22-33-60)126-86(142)65(37-28-42-107-96(102)103)114-75(135)50-112-80(136)70(51-128)113-58(8)132)94(151)125-76(54(3)4)88(144)123-78(56(6)12-2)90(146)118-67(44-59-30-19-17-20-31-59)83(139)124-79(57(7)131)91(147)120-71(52-129)81(137)111-48-73(133)110-49-74(134)115-72(53-130)85(141)116-64(36-27-41-106-95(100)101)82(138)119-69(92(148)149)46-61-47-109-63-35-24-23-34-62(61)63/h13-14,17-24,30-35,47,54-57,64-72,76-79,109,128-131H,11-12,15-16,25-29,36-46,48-53H2,1-10H3,(H,110,133)(H,111,137)(H,112,136)(H,113,132)(H,114,135)(H,115,134)(H,116,141)(H,117,145)(H,118,146)(H,119,138)(H,120,147)(H,121,150)(H,122,140)(H,123,144)(H,124,139)(H,125,151)(H,126,142)(H,127,143)(H,148,149)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/b14-13+/t55-,56-,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,76-,77-,78-,79-,98-,99-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50561921
PNG
(CHEMBL4778498)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(O)=O)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](CCCNC(N)=N)N[C@H](CO)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)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|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
331n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00456
BindingDB Entry DOI: 10.7270/Q2G73JFZ
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50534448
PNG
(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
407n/an/an/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50534446
PNG
(CHEMBL4586048)
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](N)CCCNC(N)=N)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:86|
Show InChI InChI=1S/C110H173N33O26/c1-11-62(7)86(139-95(159)75(50-64-31-19-17-20-32-64)134-93(157)73(41-42-84(150)151)131-91(155)70(38-28-46-121-106(114)115)128-83(149)56-127-89(153)78(57-144)137-94(158)74(49-60(3)4)133-88(152)68(111)36-27-45-120-105(112)113)100(164)132-72(40-30-48-123-108(118)119)97(161)142-110(10)44-26-16-14-13-15-25-43-109(9,143-98(162)76(51-65-33-21-18-22-34-65)135-101(165)87(63(8)12-2)140-99(163)85(61(5)6)141-104(110)169)103(168)138-79(58-145)90(154)126-54-81(147)125-55-82(148)129-80(59-146)96(160)130-71(39-29-47-122-107(116)117)92(156)136-77(102(166)167)52-66-53-124-69-37-24-23-35-67(66)69/h13-14,17-24,31-35,37,53,60-63,68,70-80,85-87,124,144-146H,11-12,15-16,25-30,36,38-52,54-59,111H2,1-10H3,(H,125,147)(H,126,154)(H,127,153)(H,128,149)(H,129,148)(H,130,160)(H,131,155)(H,132,164)(H,133,152)(H,134,157)(H,135,165)(H,136,156)(H,137,158)(H,138,168)(H,139,159)(H,140,163)(H,141,169)(H,142,161)(H,143,162)(H,150,151)(H,166,167)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/b14-13-/t62-,63-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,85-,86-,87-,109-,110-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
575n/an/an/an/an/an/an/an/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
PNG
(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
603n/an/an/an/an/an/an/an/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))
BDBM50383000
PNG
(CHEMBL2030696)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(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)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:105.108,95.98,88.89,76.86,68.69,49.54,19.25,4.4,131.134,143.145,162.165,187.190,204.207,wD:100.103,57.65,43.46,28.36,8.16,2.2,120.122,136.138,144.147,151.153,173.176,193.196,(-.97,-12.01,;-.97,-13.55,;.36,-14.32,;1.7,-13.55,;.36,-15.86,;-.97,-16.63,;-2.31,-15.86,;-2.31,-14.32,;-3.63,-16.63,;-3.63,-18.17,;-2.31,-18.94,;-.97,-18.16,;.35,-18.93,;.35,-20.47,;-.96,-21.24,;-2.31,-20.46,;-4.97,-15.86,;-6.3,-16.63,;-6.3,-18.17,;-7.64,-15.86,;-7.64,-14.32,;-6.3,-13.55,;-6.3,-12.01,;-7.64,-11.24,;-4.97,-11.24,;-8.97,-16.63,;-10.3,-15.86,;-10.3,-14.32,;-11.65,-16.63,;-11.65,-18.17,;-10.3,-18.94,;-10.3,-20.48,;-8.97,-21.25,;-8.97,-22.79,;-10.3,-23.56,;-7.64,-23.56,;-12.99,-15.86,;-14.31,-16.63,;-14.31,-18.17,;-15.65,-15.86,;-16.99,-16.63,;-18.31,-15.86,;-18.31,-14.32,;-19.65,-16.63,;-19.65,-18.17,;-18.31,-18.94,;-20.99,-15.86,;-22.32,-16.63,;-22.32,-18.17,;-23.65,-15.86,;-23.65,-14.32,;-22.32,-13.55,;-22.32,-12.01,;-20.99,-14.32,;-24.99,-16.63,;-26.32,-15.86,;-26.32,-14.32,;-27.65,-16.63,;-27.65,-18.17,;-26.32,-18.94,;-26.32,-20.48,;-24.99,-21.25,;-24.99,-22.79,;-26.32,-23.56,;-23.65,-23.56,;-28.98,-15.86,;-30.32,-16.63,;-30.32,-18.17,;-31.65,-15.86,;-32.99,-16.63,;-34.32,-15.86,;-34.32,-14.32,;-35.66,-16.63,;-36.98,-15.86,;-38.32,-16.63,;-38.32,-18.17,;-39.66,-15.86,;-39.66,-14.32,;-38.32,-13.55,;-36.99,-14.31,;-35.66,-13.54,;-35.66,-12,;-34.34,-11.23,;-37,-11.24,;-38.33,-12.01,;-40.99,-16.63,;-42.32,-15.86,;-43.66,-16.63,;-42.32,-14.32,;-40.94,-13.62,;-41.47,-12.02,;-43.15,-12.04,;-43.66,-13.64,;-45,-14.4,;-45.01,-15.95,;-46.32,-13.63,;-46.33,-12.09,;-47.65,-14.4,;-49,-13.62,;-49,-12.08,;-50.34,-14.38,;-50.33,-15.93,;-51.67,-13.61,;-53.01,-14.37,;-53.01,-15.91,;-54.33,-13.6,;-55.66,-14.36,;-54.32,-12.06,;-52.99,-11.3,;-53,-9.76,;-51.65,-8.99,;-51.65,-7.45,;-50.32,-6.68,;-52.98,-6.68,;-31.65,-14.32,;-30.32,-13.55,;-32.99,-13.55,;1.7,-16.63,;1.7,-18.17,;3.03,-15.86,;4.36,-16.63,;4.36,-18.17,;5.7,-18.94,;5.7,-20.48,;7.03,-21.25,;7.03,-22.79,;5.7,-23.56,;8.37,-23.56,;5.7,-15.86,;5.7,-14.32,;7.03,-16.63,;8.37,-15.86,;8.37,-14.32,;9.69,-16.63,;9.69,-18.17,;11.03,-15.86,;12.37,-16.63,;12.37,-18.17,;13.69,-18.94,;11.03,-18.94,;13.69,-15.86,;13.69,-14.32,;15.03,-16.63,;16.36,-15.86,;16.36,-14.32,;17.69,-13.55,;15.03,-13.55,;15.03,-12.01,;17.69,-16.63,;17.69,-18.17,;19.03,-15.86,;20.36,-16.63,;20.36,-18.17,;21.7,-18.94,;23.03,-18.16,;24.36,-18.93,;24.36,-20.47,;23.03,-21.24,;21.7,-20.46,;21.7,-15.86,;21.7,-14.32,;23.03,-16.63,;24.36,-15.86,;24.36,-14.32,;25.7,-13.55,;25.7,-12.01,;27.03,-11.24,;27.03,-9.7,;25.7,-8.93,;28.36,-8.93,;25.7,-16.63,;25.7,-18.17,;27.03,-15.86,;28.36,-16.63,;28.36,-18.17,;29.7,-18.94,;29.7,-15.86,;29.7,-14.32,;31.03,-16.63,;32.37,-15.86,;33.7,-16.63,;33.7,-18.17,;35.04,-15.86,;36.36,-16.63,;37.7,-15.86,;37.7,-14.32,;39.04,-16.63,;40.37,-15.86,;40.37,-14.32,;41.7,-13.55,;41.7,-16.63,;41.7,-18.17,;43.04,-15.86,;44.37,-16.63,;44.37,-18.17,;45.7,-18.94,;45.7,-20.48,;47.04,-21.25,;47.04,-22.79,;45.7,-23.56,;48.37,-23.56,;45.7,-15.86,;45.7,-14.32,;47.04,-16.63,;48.37,-15.86,;48.37,-14.32,;49.7,-13.55,;51.1,-14.16,;52.13,-13.02,;51.36,-11.69,;51.83,-10.23,;50.8,-9.09,;49.3,-9.41,;48.83,-10.87,;49.86,-12.01,;49.7,-16.63,;51.04,-15.86,;49.7,-18.17,)|
Show InChI InChI=1S/C138H218N46O34/c1-14-73(9)108(129(214)172-87(39-26-52-154-135(144)145)116(201)164-76(12)111(196)181-107(72(7)8)128(213)183-109(74(10)15-2)130(215)176-94(58-78-31-18-16-19-32-78)123(208)168-89(41-28-54-156-137(148)149)120(205)178-97(67-185)114(199)160-63-101(189)159-64-102(190)167-99(69-187)125(210)169-88(40-27-53-155-136(146)147)119(204)177-96(132(217)218)61-81-62-158-85-37-23-22-35-83(81)85)182-124(209)95(59-79-33-20-17-21-34-79)174-121(206)91(48-49-105(193)194)170-117(202)86(38-25-51-153-134(142)143)166-103(191)65-162-115(200)98(68-186)179-122(207)92(57-70(3)4)173-118(203)90(42-29-55-157-138(150)151)171-127(212)106(71(5)6)180-104(192)66-161-113(198)93(60-80-44-46-82(188)47-45-80)175-126(211)100-43-30-56-184(100)131(216)77(13)165-110(195)75(11)163-112(197)84(139)36-24-50-152-133(140)141/h16-23,31-35,37,44-47,62,70-77,84,86-100,106-109,158,185-188H,14-15,24-30,36,38-43,48-61,63-69,139H2,1-13H3,(H,159,189)(H,160,199)(H,161,198)(H,162,200)(H,163,197)(H,164,201)(H,165,195)(H,166,191)(H,167,190)(H,168,208)(H,169,210)(H,170,202)(H,171,212)(H,172,214)(H,173,203)(H,174,206)(H,175,211)(H,176,215)(H,177,204)(H,178,205)(H,179,207)(H,180,192)(H,181,196)(H,182,209)(H,183,213)(H,193,194)(H,217,218)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t73-,74-,75-,76-,77-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,106-,107-,108-,109-/m0/s1
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741n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cells


J Med Chem 55: 1671-81 (2012)


Article DOI: 10.1021/jm201505p
BindingDB Entry DOI: 10.7270/Q2HH6M3H
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558037
PNG
(CHEMBL4794137)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
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912n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
Relaxin-3 receptor 2


(Homo sapiens (Human))
BDBM50558037
PNG
(CHEMBL4794137)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r|
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912n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.5b01786
BindingDB Entry DOI: 10.7270/Q2PC3624
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382171
PNG
(CHEMBL2022155)
Show SMILES CCN(CC)CCOC(=O)[C@@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m1/s1
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972n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382171
PNG
(CHEMBL2022155)
Show SMILES CCN(CC)CCOC(=O)[C@@H](C[C@@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m1/s1
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972n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
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