BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Relaxin-3 receptor 1' and Ligand = 'BDBM50382999'   
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))
BDBM50382999
PNG
(CHEMBL2030698)
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]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=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:105.108,95.98,88.89,76.86,68.69,49.54,19.25,4.4,131.134,143.145,162.165,163.168,175.178,190.193,207.210,wD:100.103,57.65,43.46,28.36,8.16,2.2,120.122,136.138,144.147,151.153,169.172,196.199,(20.34,-42.66,;20.34,-44.2,;21.69,-44.97,;23.02,-44.21,;21.69,-46.52,;20.34,-47.29,;19.01,-46.52,;19.01,-44.98,;17.68,-47.29,;17.68,-48.83,;19.01,-49.61,;20.35,-48.83,;21.67,-49.6,;21.69,-51.14,;20.34,-51.91,;19.02,-51.14,;16.33,-46.52,;15.01,-47.3,;15.01,-48.83,;13.68,-46.53,;13.68,-44.98,;15.01,-44.21,;15.01,-42.67,;13.67,-41.9,;16.33,-41.9,;12.33,-47.3,;11,-46.53,;11,-44.99,;9.67,-47.31,;9.67,-48.84,;11,-49.62,;11,-51.15,;12.33,-51.92,;12.33,-53.46,;11,-54.23,;13.68,-54.23,;8.32,-46.54,;6.99,-47.31,;6.99,-48.85,;5.66,-46.54,;4.32,-47.31,;2.99,-46.54,;2.99,-45,;1.66,-47.31,;1.66,-48.85,;2.99,-49.62,;.33,-46.54,;-1.02,-47.32,;-1.02,-48.85,;-2.35,-46.55,;-2.35,-45,;-1.02,-44.24,;-1.02,-42.69,;.31,-45,;-3.68,-47.32,;-5.02,-46.56,;-5.02,-45.01,;-6.36,-47.33,;-6.36,-48.86,;-5.02,-49.64,;-5.02,-51.17,;-3.68,-51.95,;-3.68,-53.48,;-5.01,-54.25,;-2.34,-54.26,;-7.69,-46.55,;-9.03,-47.33,;-9.03,-48.87,;-10.36,-46.56,;-11.71,-47.33,;-13.03,-46.56,;-13.03,-45.02,;-14.37,-47.34,;-15.71,-46.57,;-17.04,-47.34,;-17.04,-48.88,;-18.37,-46.57,;-18.37,-45.03,;-17.04,-44.26,;-15.72,-45.02,;-14.39,-44.25,;-14.4,-42.7,;-13.06,-41.93,;-15.74,-41.94,;-17.05,-42.71,;-19.7,-47.34,;-21.04,-46.57,;-22.38,-47.34,;-21.04,-45.03,;-19.66,-44.32,;-20.2,-42.72,;-21.88,-42.74,;-22.39,-44.35,;-23.81,-44.95,;-24.09,-46.46,;-24.98,-43.94,;-24.7,-42.43,;-26.43,-44.46,;-27.61,-43.46,;-27.33,-41.94,;-29.06,-43.97,;-29.34,-45.48,;-30.23,-42.97,;-31.68,-43.48,;-31.97,-45,;-32.86,-42.48,;-34.31,-42.99,;-32.57,-40.96,;-31.12,-40.44,;-30.84,-38.94,;-29.38,-38.42,;-29.1,-36.9,;-27.65,-36.39,;-30.27,-35.9,;-10.36,-45.01,;-9.03,-44.24,;-11.71,-44.25,;23.02,-47.29,;23.02,-48.82,;24.34,-46.51,;25.67,-47.28,;25.67,-48.82,;27.03,-49.59,;27.03,-51.13,;28.35,-51.9,;28.35,-53.45,;27.02,-54.21,;29.69,-54.21,;27.03,-46.51,;27.03,-44.96,;28.35,-47.28,;29.68,-46.5,;29.68,-44.97,;31.01,-47.28,;31.01,-48.82,;32.36,-46.51,;33.69,-47.28,;33.69,-48.81,;35.02,-49.58,;32.36,-49.58,;35.02,-46.5,;35.02,-44.96,;36.36,-47.27,;37.69,-46.5,;37.69,-44.95,;39.02,-44.18,;36.36,-44.18,;36.36,-42.64,;39.02,-47.27,;39.02,-48.8,;40.36,-46.49,;41.7,-47.26,;41.7,-48.8,;43.03,-49.58,;44.37,-48.8,;45.7,-49.57,;45.7,-51.11,;44.37,-51.88,;43.04,-51.11,;43.03,-46.49,;43.03,-44.95,;44.36,-47.26,;45.7,-46.49,;45.7,-44.94,;44.36,-44.17,;47.03,-44.18,;47.03,-47.26,;47.03,-48.79,;48.37,-46.48,;49.7,-47.25,;49.7,-48.79,;51.04,-49.56,;51.04,-46.48,;51.04,-44.93,;52.37,-47.25,;53.71,-46.47,;53.71,-44.94,;55.04,-44.17,;55.04,-42.62,;56.37,-41.85,;56.37,-40.31,;55.04,-39.53,;57.71,-39.54,;55.04,-47.25,;55.04,-48.79,;56.37,-46.48,;57.71,-47.25,;59.05,-46.47,;59.05,-44.93,;60.38,-47.24,;61.72,-46.47,;61.72,-44.92,;63.05,-44.15,;63.05,-47.24,;63.05,-48.77,;64.39,-46.46,;65.72,-47.23,;65.72,-48.77,;67.06,-49.55,;67.06,-51.08,;68.4,-51.86,;68.4,-53.39,;67.07,-54.16,;69.73,-54.17,;67.06,-46.46,;67.06,-44.92,;68.39,-47.23,;69.73,-46.46,;69.73,-44.91,;71.06,-44.15,;72.46,-44.77,;73.49,-43.62,;72.72,-42.29,;73.2,-40.83,;72.16,-39.68,;70.66,-40,;70.18,-41.47,;71.22,-42.61,;71.06,-47.23,;72.4,-46.45,;71.06,-48.76,)|
Show InChI InChI=1S/C140H222N46O35/c1-15-73(9)108(130(216)173-89(41-28-54-157-138(148)149)117(203)165-76(12)112(198)182-107(72(7)8)129(215)184-109(74(10)16-2)131(217)177-96(60-80-34-21-18-22-35-80)124(210)185-110(78(14)190)132(218)180-100(69-189)126(212)169-87(39-26-52-155-136(144)145)114(200)161-65-103(193)168-99(68-188)125(211)170-90(42-29-55-158-139(150)151)120(206)178-97(134(220)221)62-82-63-160-86-38-24-23-36-84(82)86)183-123(209)95(59-79-32-19-17-20-33-79)175-121(207)92(49-50-105(195)196)171-118(204)88(40-27-53-156-137(146)147)167-102(192)64-163-116(202)98(67-187)179-122(208)93(58-70(3)4)174-119(205)91(43-30-56-159-140(152)153)172-128(214)106(71(5)6)181-104(194)66-162-115(201)94(61-81-45-47-83(191)48-46-81)176-127(213)101-44-31-57-186(101)133(219)77(13)166-111(197)75(11)164-113(199)85(141)37-25-51-154-135(142)143/h17-24,32-36,38,45-48,63,70-78,85,87-101,106-110,160,187-191H,15-16,25-31,37,39-44,49-62,64-69,141H2,1-14H3,(H,161,200)(H,162,201)(H,163,202)(H,164,199)(H,165,203)(H,166,197)(H,167,192)(H,168,193)(H,169,212)(H,170,211)(H,171,204)(H,172,214)(H,173,216)(H,174,205)(H,175,207)(H,176,213)(H,177,217)(H,178,206)(H,179,208)(H,180,218)(H,181,194)(H,182,198)(H,183,209)(H,184,215)(H,185,210)(H,195,196)(H,220,221)(H4,142,143,154)(H4,144,145,155)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)(H4,152,153,159)/t73-,74-,75-,76-,77-,78+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-,108-,109-,110-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.09E+3n/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