Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50382996   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Relaxin-3 receptor 1 (Homo sapiens (Human))	BDBM50382996 (CHEMBL2030694) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)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(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:131.134,121.124,114.115,102.112,94.95,75.80,45.51,28.30,12.12,4.4,160.163,161.166,181.184,198.201,wD:126.129,83.91,69.72,54.62,34.42,17.24,8.8,2.2,149.151,167.170,187.190,(50.06,-42.67,;50.06,-44.21,;51.4,-44.97,;52.73,-44.21,;51.4,-46.52,;50.06,-47.29,;48.73,-46.52,;48.73,-44.98,;47.4,-47.3,;46.07,-46.53,;44.73,-47.3,;44.73,-48.84,;43.4,-46.53,;43.4,-44.99,;42.06,-47.3,;40.74,-46.53,;40.74,-44.99,;39.41,-47.3,;39.41,-48.84,;40.74,-49.61,;40.74,-51.15,;42.07,-51.92,;42.07,-53.46,;40.74,-54.23,;43.4,-54.23,;38.06,-46.54,;36.74,-47.31,;36.74,-48.84,;35.41,-46.54,;35.41,-45,;36.74,-44.23,;34.07,-47.31,;32.74,-46.55,;32.74,-45,;31.4,-47.32,;31.4,-48.85,;32.74,-49.63,;34.07,-48.85,;35.41,-49.62,;35.41,-51.15,;34.08,-51.92,;32.74,-51.16,;30.08,-46.55,;28.73,-47.32,;28.73,-48.86,;27.41,-46.55,;27.41,-45.01,;28.73,-44.24,;28.73,-42.7,;27.4,-41.93,;30.06,-41.93,;26.07,-47.32,;24.74,-46.55,;24.74,-45.01,;23.4,-47.33,;23.4,-48.86,;24.74,-49.63,;24.74,-51.17,;26.08,-51.94,;26.08,-53.47,;24.73,-54.25,;27.41,-54.25,;22.07,-46.56,;20.73,-47.33,;20.73,-48.87,;19.4,-46.56,;18.07,-47.34,;16.73,-46.56,;16.73,-45.02,;15.4,-47.33,;15.4,-48.88,;16.73,-49.64,;14.07,-46.57,;12.73,-47.34,;12.73,-48.87,;11.4,-46.57,;11.4,-45.03,;12.73,-44.26,;12.73,-42.72,;14.07,-45.03,;10.07,-47.34,;8.74,-46.58,;8.74,-45.03,;7.4,-47.35,;7.4,-48.88,;8.74,-49.66,;8.74,-51.19,;10.07,-51.96,;10.07,-53.5,;8.75,-54.26,;11.41,-54.27,;6.07,-46.58,;4.74,-47.35,;4.74,-48.89,;3.4,-46.58,;2.06,-47.35,;.74,-46.58,;.74,-45.04,;-.61,-47.36,;-1.93,-46.59,;-3.26,-47.36,;-3.26,-48.9,;-4.6,-46.59,;-4.6,-45.05,;-3.26,-44.28,;-1.93,-45.04,;-.6,-44.27,;-.6,-42.73,;.73,-41.96,;-1.94,-41.97,;-3.27,-42.74,;-5.93,-47.36,;-7.26,-46.59,;-8.59,-47.36,;-7.26,-45.05,;-5.88,-44.35,;-6.43,-42.75,;-8.1,-42.77,;-8.6,-44.37,;-10.03,-44.97,;-10.31,-46.49,;-11.21,-43.97,;-10.91,-42.46,;-12.65,-44.48,;-13.83,-43.48,;-13.55,-41.97,;-15.28,-44,;-15.56,-45.5,;-16.44,-42.99,;-17.9,-43.5,;-18.18,-45.02,;-19.07,-42.5,;-20.52,-43.02,;-18.78,-40.99,;-17.34,-40.47,;-17.05,-38.97,;-15.6,-38.45,;-15.32,-36.94,;-13.87,-36.43,;-16.49,-35.93,;3.4,-45.04,;4.74,-44.27,;2.06,-44.27,;47.4,-48.83,;48.73,-49.6,;46.07,-49.6,;52.73,-47.29,;52.73,-48.83,;54.07,-46.51,;55.4,-47.29,;55.4,-48.82,;56.73,-49.6,;58.07,-48.82,;59.39,-49.59,;59.4,-51.12,;58.07,-51.89,;56.74,-51.13,;56.73,-46.52,;56.73,-44.97,;58.06,-47.28,;59.4,-46.51,;59.4,-44.97,;58.06,-44.19,;60.73,-44.2,;60.73,-47.28,;60.73,-48.81,;62.07,-46.51,;63.39,-47.27,;63.39,-48.81,;64.73,-49.58,;64.73,-46.5,;64.73,-44.96,;66.06,-47.27,;67.4,-46.5,;68.73,-47.27,;68.73,-48.81,;70.06,-46.5,;71.39,-47.27,;72.73,-46.49,;72.73,-44.95,;74.06,-47.26,;75.4,-46.49,;75.4,-44.94,;76.73,-44.18,;76.73,-47.26,;76.73,-48.8,;78.06,-46.48,;79.39,-47.26,;79.39,-48.79,;80.73,-49.57,;80.73,-51.1,;82.06,-51.87,;82.06,-53.41,;80.74,-54.17,;83.4,-54.18,;80.73,-46.49,;80.73,-44.94,;82.06,-47.25,;83.39,-46.48,;83.39,-44.94,;84.73,-44.17,;86.13,-44.79,;87.16,-43.65,;86.39,-42.31,;86.86,-40.85,;85.83,-39.7,;84.33,-40.03,;83.85,-41.49,;84.89,-42.64,;84.73,-47.25,;86.07,-46.48,;84.73,-48.78,)| Show InChI InChI=1S/C133H207N43O34S2/c1-13-69(8)104(125(206)167-90(54-75-30-18-15-19-31-75)119(200)175-105(73(12)179)126(207)171-94(64-211)111(192)152-58-97(181)151-59-98(182)159-93(63-178)120(201)160-84(37-25-49-148-132(141)142)115(196)168-91(128(209)210)56-77-57-150-81-34-21-20-32-79(77)81)174-124(205)103(68(6)7)173-107(188)71(10)156-112(193)83(36-24-48-147-131(139)140)161-121(202)95(65-212)170-118(199)89(53-74-28-16-14-17-29-74)165-116(197)86(44-45-101(185)186)162-113(194)82(35-23-47-146-130(137)138)158-99(183)60-154-110(191)92(62-177)169-117(198)87(52-66(2)3)164-114(195)85(38-26-50-149-133(143)144)163-123(204)102(67(4)5)172-100(184)61-153-109(190)88(55-76-40-42-78(180)43-41-76)166-122(203)96-39-27-51-176(96)127(208)72(11)157-106(187)70(9)155-108(189)80(134)33-22-46-145-129(135)136/h14-21,28-32,34,40-43,57,66-73,80,82-96,102-105,150,177-180,211-212H,13,22-27,33,35-39,44-56,58-65,134H2,1-12H3,(H,151,181)(H,152,192)(H,153,190)(H,154,191)(H,155,189)(H,156,193)(H,157,187)(H,158,183)(H,159,182)(H,160,201)(H,161,202)(H,162,194)(H,163,204)(H,164,195)(H,165,197)(H,166,203)(H,167,206)(H,168,196)(H,169,198)(H,170,199)(H,171,207)(H,172,184)(H,173,188)(H,174,205)(H,175,200)(H,185,186)(H,209,210)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)(H4,143,144,149)/t69-,70-,71-,72-,73+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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