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Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with Target = 'Relaxin receptor 1'   
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 receptor 1


(Homo sapiens (Human))
BDBM50563230
PNG
(CHEMBL4754949)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CSCCSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01533
BindingDB Entry DOI: 10.7270/Q2XW4PHG
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50563231
PNG
(CHEMBL4780098)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)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](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.88E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01533
BindingDB Entry DOI: 10.7270/Q2XW4PHG
More data for this
Ligand-Target Pair
Relaxin 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H2 relaxin from RXFP1 expressed in HEK-293T 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 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H2 relaxin from RXFP1 expressed in HEK-293T 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 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
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of europium-labelled H2 relaxin from RXFP1 expressed in HEK-293T 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 receptor 1


(Homo sapiens (Human))
BDBM50449838
PNG
(CHEMBL3718273)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C24H30N2O2/c1-24(2,3)18-12-9-13-19(16-18)25-23(28)20-14-7-8-15-21(20)26-22(27)17-10-5-4-6-11-17/h7-9,12-17H,4-6,10-11H2,1-3H3,(H,25,28)(H,26,27)
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n/an/an/an/a 2.66E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449839
PNG
(CHEMBL3716871)
Show SMILES Brc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
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n/an/an/an/a 2.65E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449840
PNG
(CHEMBL3716462)
Show SMILES FC(F)(F)S(=O)(=O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)31(29,30)16-10-6-9-15(13-16)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
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n/an/an/an/a 1.06E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449841
PNG
(CHEMBL3716488)
Show SMILES CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N2O2/c1-3-13(4-2)18(26)25-17-11-6-5-10-16(17)19(27)24-15-9-7-8-14(12-15)20(21,22)23/h5-13H,3-4H2,1-2H3,(H,24,27)(H,25,26)
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n/an/an/an/a 5.29E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449842
PNG
(CHEMBL3719295)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)c1
Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)14-8-5-9-15(12-14)24-19(27)16-10-3-4-11-17(16)25-18(26)13-6-1-2-7-13/h3-5,8-13H,1-2,6-7H2,(H,24,27)(H,25,26)
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n/an/an/an/a 2.36E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449843
PNG
(CHEMBL3718813)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3/c1-30-17-11-9-14(10-12-17)20(28)27-19-8-3-2-7-18(19)21(29)26-16-6-4-5-15(13-16)22(23,24)25/h2-13H,1H3,(H,26,29)(H,27,28)
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n/an/an/an/a 9.40E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449844
PNG
(CHEMBL3717553)
Show SMILES COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O3/c1-30-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-15-8-6-7-14(13-15)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/an/an/a 334n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449845
PNG
(CHEMBL3717211)
Show SMILES COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
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n/an/an/an/a 188n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449846
PNG
(CHEMBL3715235)
Show SMILES CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O5S/c1-2-14-34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(15-16)35(32,33)24(25,26)27/h3-13,15H,2,14H2,1H3,(H,28,30)(H,29,31)
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n/an/an/an/a 52n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449847
PNG
(CHEMBL3715097)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C21H14ClF3N2O2/c22-17-10-3-1-8-15(17)19(28)27-18-11-4-2-9-16(18)20(29)26-14-7-5-6-13(12-14)21(23,24)25/h1-12H,(H,26,29)(H,27,28)
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n/an/an/an/a 3.74E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449848
PNG
(CHEMBL3717178)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H14F6N2O3/c23-21(24,25)13-6-5-7-14(12-13)29-19(31)15-8-1-3-10-17(15)30-20(32)16-9-2-4-11-18(16)33-22(26,27)28/h1-12H,(H,29,31)(H,30,32)
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n/an/an/an/a 1.18E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449849
PNG
(CHEMBL3717089)
Show SMILES CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
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n/an/an/an/a 265n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449850
PNG
(CHEMBL3718541)
Show SMILES CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O3/c1-15(2)32-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-17-9-7-8-16(14-17)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
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n/an/an/an/a 471n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449851
PNG
(CHEMBL3716581)
Show SMILES COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O4/c1-31-18-11-6-12-19(32-2)20(18)22(30)28-17-10-4-3-9-16(17)21(29)27-15-8-5-7-14(13-15)23(24,25)26/h3-13H,1-2H3,(H,27,29)(H,28,30)
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n/an/an/an/a 7.47E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449852
PNG
(CHEMBL3716540)
Show SMILES COCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O4/c1-32-13-14-33-21-12-5-3-10-19(21)23(31)29-20-11-4-2-9-18(20)22(30)28-17-8-6-7-16(15-17)24(25,26)27/h2-12,15H,13-14H2,1H3,(H,28,30)(H,29,31)
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n/an/an/an/a 747n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449853
PNG
(CHEMBL4162685)
Show SMILES CN(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H24F3N3O3/c1-31(2)14-15-34-22-13-6-4-11-20(22)24(33)30-21-12-5-3-10-19(21)23(32)29-18-9-7-8-17(16-18)25(26,27)28/h3-13,16H,14-15H2,1-2H3,(H,29,32)(H,30,33)
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n/an/an/an/a 3.74E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449854
PNG
(CHEMBL3715203)
Show SMILES CCOc1ccccc1C(=O)Nc1ncccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O5S/c1-2-33-18-11-4-3-9-16(18)20(29)28-19-17(10-6-12-26-19)21(30)27-14-7-5-8-15(13-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,26,28,29)
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n/an/an/an/a 1.67E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449855
PNG
(CHEMBL3715105)
Show SMILES CCOc1ccccc1C(=O)Nc1cnccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O5S/c1-2-33-19-9-4-3-8-17(19)21(30)28-18-13-26-11-10-16(18)20(29)27-14-6-5-7-15(12-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,29)(H,28,30)
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n/an/an/an/a 2.97E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449856
PNG
(CHEMBL3715743)
Show SMILES CCOc1ccccc1C(=O)Nc1ccncc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O5S/c1-2-33-19-9-4-3-8-16(19)20(29)28-18-10-11-26-13-17(18)21(30)27-14-6-5-7-15(12-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,26,28,29)
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n/an/an/an/a 747n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449857
PNG
(CHEMBL3715539)
Show SMILES CCOc1ccccc1C(=O)Nc1cccnc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O5S/c1-2-33-18-11-4-3-9-16(18)20(29)28-17-10-6-12-26-19(17)21(30)27-14-7-5-8-15(13-14)34(31,32)22(23,24)25/h3-13H,2H2,1H3,(H,27,30)(H,28,29)
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n/an/an/an/a 4.71E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449858
PNG
(CHEMBL3717389)
Show SMILES CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O5S/c1-2-33-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-15-8-7-9-16(14-15)34(31,32)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
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n/an/an/an/a 188n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449859
PNG
(CHEMBL3718400)
Show SMILES FC(F)(F)COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H16F6N2O5S/c24-22(25,26)13-36-19-11-4-2-9-17(19)21(33)31-18-10-3-1-8-16(18)20(32)30-14-6-5-7-15(12-14)37(34,35)23(27,28)29/h1-12H,13H2,(H,30,32)(H,31,33)
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n/an/an/an/a 67n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449860
PNG
(CHEMBL3716980)
Show SMILES CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O5S/c1-15(2)34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)35(32,33)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
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n/an/an/an/a 94n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449861
PNG
(CHEMBL3715081)
Show SMILES CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C25H23F3N2O5S/c1-2-3-15-35-22-14-7-5-12-20(22)24(32)30-21-13-6-4-11-19(21)23(31)29-17-9-8-10-18(16-17)36(33,34)25(26,27)28/h4-14,16H,2-3,15H2,1H3,(H,29,31)(H,30,32)
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n/an/an/an/a 47n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50010261
PNG
((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |r|
Show InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
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n/an/an/an/a 47n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449862
PNG
(CHEMBL1479446)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
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n/an/an/an/a 1.88E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449863
PNG
(CHEMBL3717485)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C21H21F3N2O2/c22-21(23,24)15-10-12-16(13-11-15)25-20(28)17-8-4-5-9-18(17)26-19(27)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,25,28)(H,26,27)
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n/an/an/an/a 9.40E+4n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449864
PNG
(CHEMBL1491180)
Show SMILES O=C(Nc1ccccc1C(=O)Nc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H22N2O2/c23-19(15-9-3-1-4-10-15)22-18-14-8-7-13-17(18)20(24)21-16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,21,24)(H,22,23)
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n/an/an/an/a 9.40E+4n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449865
PNG
(CHEMBL3715535)
Show SMILES Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H24N2O2/c1-15-8-7-11-17(14-15)22-21(25)18-12-5-6-13-19(18)23-20(24)16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,22,25)(H,23,24)
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n/an/an/an/a 3.74E+4n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449866
PNG
(CHEMBL3716352)
Show SMILES Cc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C21H24N2O2/c1-15-11-13-17(14-12-15)22-21(25)18-9-5-6-10-19(18)23-20(24)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,22,25)(H,23,24)
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n/an/an/an/a 1.87E+5n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449867
PNG
(CHEMBL3718612)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C20H21N3O4/c24-19(14-7-2-1-3-8-14)22-18-12-5-4-11-17(18)20(25)21-15-9-6-10-16(13-15)23(26)27/h4-6,9-14H,1-3,7-8H2,(H,21,25)(H,22,24)
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n/an/an/an/a 5.93E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449868
PNG
(CHEMBL3718363)
Show SMILES Fc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C20H21FN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
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n/an/an/an/a 1.33E+4n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449869
PNG
(CHEMBL3715551)
Show SMILES Clc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C20H21ClN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
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n/an/an/an/a 3.34E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449870
PNG
(CHEMBL3716878)
Show SMILES COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H24N2O3/c1-26-17-11-7-10-16(14-17)22-21(25)18-12-5-6-13-19(18)23-20(24)15-8-3-2-4-9-15/h5-7,10-15H,2-4,8-9H2,1H3,(H,22,25)(H,23,24)
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n/an/an/an/a 3.74E+4n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449871
PNG
(CHEMBL3716127)
Show SMILES CSc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H24N2O2S/c1-26-17-11-7-10-16(14-17)22-21(25)18-12-5-6-13-19(18)23-20(24)15-8-3-2-4-9-15/h5-7,10-15H,2-4,8-9H2,1H3,(H,22,25)(H,23,24)
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n/an/an/an/a 5.29E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449872
PNG
(CHEMBL3717723)
Show SMILES FC(F)(F)Sc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C21H21F3N2O2S/c22-21(23,24)29-16-10-6-9-15(13-16)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
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n/an/an/an/a 1.88E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449873
PNG
(CHEMBL3716596)
Show SMILES FC(F)(F)c1ccccc1-c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C27H25F3N2O2/c28-27(29,30)23-15-6-4-13-21(23)19-11-8-12-20(17-19)31-26(34)22-14-5-7-16-24(22)32-25(33)18-9-2-1-3-10-18/h4-8,11-18H,1-3,9-10H2,(H,31,34)(H,32,33)
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n/an/an/an/a 2.65E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449874
PNG
(CHEMBL3717718)
Show SMILES O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CCCCC1
Show InChI InChI=1S/C26H27N3O4/c30-24(18-9-2-1-3-10-18)28-23-15-7-5-13-21(23)26(32)29-22-14-6-4-12-20(22)25(31)27-17-19-11-8-16-33-19/h4-8,11-16,18H,1-3,9-10,17H2,(H,27,31)(H,28,30)(H,29,32)
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n/an/an/an/a 9.40E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449875
PNG
(CHEMBL3716813)
Show SMILES CCCCC(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O2/c1-2-3-11-17(25)24-16-10-5-4-9-15(16)18(26)23-14-8-6-7-13(12-14)19(20,21)22/h4-10,12H,2-3,11H2,1H3,(H,23,26)(H,24,25)
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n/an/an/an/a 5.29E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449876
PNG
(CHEMBL3718643)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CC2)c1
Show InChI InChI=1S/C18H15F3N2O2/c19-18(20,21)12-4-3-5-13(10-12)22-17(25)14-6-1-2-7-15(14)23-16(24)11-8-9-11/h1-7,10-11H,8-9H2,(H,22,25)(H,23,24)
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n/an/an/an/a 8.38E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449877
PNG
(CHEMBL3716512)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCC2)c1
Show InChI InChI=1S/C19H17F3N2O2/c20-19(21,22)13-7-4-8-14(11-13)23-18(26)15-9-1-2-10-16(15)24-17(25)12-5-3-6-12/h1-2,4,7-12H,3,5-6H2,(H,23,26)(H,24,25)
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n/an/an/an/a 2.97E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449878
PNG
(CHEMBL3719257)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCCC2)c1
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-10-7-11-17(14-16)26-21(29)18-12-5-6-13-19(18)27-20(28)15-8-3-1-2-4-9-15/h5-7,10-15H,1-4,8-9H2,(H,26,29)(H,27,28)
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n/an/an/an/a 2.11E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449879
PNG
(CHEMBL3715001)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-22(24,25)16-9-6-10-17(14-16)26-21(29)18-11-4-5-12-19(18)27-20(28)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a 8.38E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449880
PNG
(CHEMBL3718178)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccnc2)c1
Show InChI InChI=1S/C20H14F3N3O2/c21-20(22,23)14-6-3-7-15(11-14)25-19(28)16-8-1-2-9-17(16)26-18(27)13-5-4-10-24-12-13/h1-12H,(H,25,28)(H,26,27)
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n/an/an/an/a 5.93E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
Relaxin receptor 1


(Homo sapiens (Human))
BDBM50449881
PNG
(CHEMBL3716450)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C21H15F3N2O2/c22-21(23,24)15-9-6-10-16(13-15)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h1-13H,(H,25,28)(H,26,27)
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n/an/an/an/a 1.32E+3n/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay


Eur J Med Chem 156: 79-92 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.008
BindingDB Entry DOI: 10.7270/Q2474DD4
More data for this
Ligand-Target Pair
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