Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50383002   

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))	BDBM50383002 (CHEMBL2030699) 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)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:105.108,95.98,88.89,76.86,68.69,49.54,19.25,4.4,131.134,143.145,162.165,163.168,175.178,200.203,wD:100.103,57.65,43.46,28.36,8.16,2.2,120.122,136.138,144.147,151.153,169.172,194.197,211.214,(-2.67,7.12,;-2.67,5.58,;-1.34,4.81,;0,5.58,;-1.34,3.28,;-2.67,2.51,;-3.99,3.28,;-3.99,4.82,;-5.32,2.51,;-5.32,.97,;-3.99,.2,;-2.67,.96,;-1.33,.19,;-1.34,-1.35,;-2.68,-2.11,;-4,-1.34,;-6.67,3.28,;-8,2.51,;-8,.97,;-9.33,3.28,;-9.33,4.82,;-8,5.59,;-8,7.13,;-9.33,7.91,;-6.67,7.91,;-10.67,2.52,;-12.01,3.29,;-12.01,4.82,;-13.34,2.52,;-13.34,.98,;-12.01,.21,;-12.01,-1.34,;-10.67,-2.11,;-10.67,-3.65,;-12.02,-4.42,;-9.34,-4.42,;-14.68,3.29,;-16.01,2.53,;-16.01,.98,;-17.35,3.3,;-18.68,2.52,;-20.01,3.3,;-20.01,4.84,;-21.34,2.53,;-21.34,.98,;-20.01,.22,;-22.69,3.3,;-24.02,2.53,;-24.02,.99,;-25.35,3.31,;-25.35,4.84,;-24.02,5.61,;-24.02,7.15,;-22.68,4.84,;-26.68,2.53,;-28.02,3.3,;-28.02,4.85,;-29.35,2.54,;-29.35,.99,;-28.02,.22,;-28.02,-1.32,;-26.69,-2.09,;-26.69,-3.63,;-28.02,-4.4,;-25.36,-4.4,;-30.69,3.31,;-32.01,2.54,;-32.01,1,;-33.35,3.31,;-34.69,2.55,;-36.03,3.32,;-36.03,4.85,;-37.35,2.55,;-38.69,3.32,;-40.03,2.55,;-40.03,1.01,;-41.36,3.32,;-41.36,4.86,;-40.03,5.63,;-38.7,4.86,;-37.37,5.63,;-37.37,7.17,;-36.04,7.95,;-38.71,7.95,;-40.03,7.17,;-42.69,2.55,;-44.03,3.32,;-45.36,2.55,;-44.03,4.86,;-42.64,5.57,;-43.18,7.17,;-44.85,7.15,;-45.36,5.54,;-46.69,4.78,;-46.7,3.24,;-48.04,5.55,;-48.04,7.1,;-49.37,4.79,;-50.69,5.56,;-50.69,7.1,;-52.02,4.79,;-52.04,3.25,;-53.37,5.56,;-54.71,4.8,;-54.71,3.26,;-56.03,5.58,;-57.37,4.81,;-56.03,7.12,;-54.69,7.88,;-54.68,9.44,;-53.36,10.19,;-53.35,11.73,;-54.69,12.52,;-52.01,12.5,;-33.35,4.85,;-32.01,5.62,;-34.69,5.62,;0,2.5,;0,.96,;1.33,3.27,;2.67,2.5,;2.67,.95,;4,.18,;4,-1.36,;5.33,-2.13,;5.33,-3.67,;4.01,-4.44,;6.66,-4.44,;4,3.27,;4,4.8,;5.34,2.49,;6.67,3.26,;6.67,4.8,;8.01,2.5,;8.01,.95,;9.34,3.26,;10.67,2.49,;10.67,.95,;12,.18,;9.34,.17,;12,3.26,;12,4.79,;13.34,2.49,;14.67,3.25,;14.67,4.79,;16.01,5.56,;13.34,5.56,;13.34,7.1,;16.01,2.48,;16.01,.94,;17.34,3.25,;18.68,2.48,;18.68,.94,;20.01,.17,;21.34,.93,;22.67,.16,;22.67,-1.38,;21.34,-2.14,;20,-1.37,;20.01,3.25,;20.01,4.79,;21.34,2.48,;22.67,3.25,;22.67,4.78,;21.34,5.55,;24.02,5.55,;24.02,2.47,;24.02,.93,;25.34,3.24,;26.68,2.47,;26.68,.92,;28.01,.15,;28.01,3.24,;28.01,4.77,;29.35,2.46,;30.68,3.23,;30.68,4.77,;32.02,5.55,;32.02,7.08,;33.35,7.86,;33.35,9.39,;32.02,10.16,;34.69,10.17,;32.02,2.47,;32.02,.92,;33.35,3.23,;34.68,2.46,;36.02,3.23,;36.02,4.76,;37.36,2.46,;38.68,3.22,;40.02,2.45,;40.02,.9,;41.36,3.22,;42.69,2.45,;42.69,.91,;44.02,.14,;44.02,3.22,;44.02,4.76,;45.35,2.45,;46.69,3.22,;46.69,4.75,;48.03,5.52,;48.03,7.06,;49.36,7.84,;49.36,9.38,;48.03,10.14,;50.7,10.15,;48.03,2.44,;48.03,.9,;49.36,3.21,;50.69,2.44,;50.69,.89,;52.03,.12,;53.43,.75,;54.46,-.4,;53.69,-1.73,;54.16,-3.19,;53.13,-4.34,;51.62,-4.02,;51.15,-2.55,;52.19,-1.41,;52.03,3.21,;53.36,2.43,;52.03,4.74,)| Show InChI InChI=1S/C142H225N47O36/c1-15-74(9)110(132(220)176-90(41-28-54-159-140(150)151)119(207)168-77(12)114(202)185-109(73(7)8)131(219)187-111(75(10)16-2)133(221)180-97(60-81-34-21-18-22-35-81)126(214)188-112(79(14)193)134(222)183-101(70-192)128(216)172-88(39-26-52-157-138(146)147)116(204)164-64-103(195)163-65-104(196)171-100(69-191)127(215)173-91(42-29-55-160-141(152)153)122(210)181-98(136(224)225)62-83-63-162-87-38-24-23-36-85(83)87)186-125(213)96(59-80-32-19-17-20-33-80)178-123(211)93(49-50-107(199)200)174-120(208)89(40-27-53-158-139(148)149)170-105(197)66-166-118(206)99(68-190)182-124(212)94(58-71(3)4)177-121(209)92(43-30-56-161-142(154)155)175-130(218)108(72(5)6)184-106(198)67-165-117(205)95(61-82-45-47-84(194)48-46-82)179-129(217)102-44-31-57-189(102)135(223)78(13)169-113(201)76(11)167-115(203)86(143)37-25-51-156-137(144)145/h17-24,32-36,38,45-48,63,71-79,86,88-102,108-112,162,190-194H,15-16,25-31,37,39-44,49-62,64-70,143H2,1-14H3,(H,163,195)(H,164,204)(H,165,205)(H,166,206)(H,167,203)(H,168,207)(H,169,201)(H,170,197)(H,171,196)(H,172,216)(H,173,215)(H,174,208)(H,175,218)(H,176,220)(H,177,209)(H,178,211)(H,179,217)(H,180,221)(H,181,210)(H,182,212)(H,183,222)(H,184,198)(H,185,202)(H,186,213)(H,187,219)(H,188,214)(H,199,200)(H,224,225)(H4,144,145,156)(H4,146,147,157)(H4,148,149,158)(H4,150,151,159)(H4,152,153,160)(H4,154,155,161)/t74-,75-,76-,77-,78-,79+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-,110-,111-,112-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+3	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