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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 1' and Ligand = 'BDBM50534449'   
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 1


(Homo sapiens (Human))		BDBM50534449
PNG
(CHEMBL4462750)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](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|
Show InChI InChI=1S/C96H147N29O25/c1-9-51(5)76-90(146)117-63(33-23-39-106-96(101)102)82(138)114-61(30-19-20-36-103-71(131)35-34-64(84(140)118-65(86(142)123-76)40-55-24-13-11-14-25-55)116-81(137)60(31-21-37-104-94(97)98)112-74(134)46-110-79(135)68(47-126)111-54(8)130)85(141)122-75(50(3)4)89(145)124-77(52(6)10-2)91(147)119-66(41-56-26-15-12-16-27-56)87(143)125-78(53(7)129)92(148)121-69(48-127)80(136)109-44-72(132)108-45-73(133)113-70(49-128)88(144)115-62(32-22-38-105-95(99)100)83(139)120-67(93(149)150)42-57-43-107-59-29-18-17-28-58(57)59/h11-18,24-29,43,50-53,60-70,75-78,107,126-129H,9-10,19-23,30-42,44-49H2,1-8H3,(H,103,131)(H,108,132)(H,109,136)(H,110,135)(H,111,130)(H,112,134)(H,113,133)(H,114,138)(H,115,144)(H,116,137)(H,117,146)(H,118,140)(H,119,147)(H,120,139)(H,121,148)(H,122,141)(H,123,142)(H,124,145)(H,125,143)(H,149,150)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t51-,52-,53+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-,78-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+3n/an/an/an/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