BDBM50215050 CHEMBL236933::LTERHKILHRLLQEGSPSD

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=QPHCCOQIWMPOQX-KTGODZLYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215050   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50215050 (CHEMBL236933 | LTERHKILHRLLQEGSPSD) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:63.63,100.101,2.2,117.118,8.13,130.131,81.82,27.35,143.145,47.48,57.59,wD:4.4,149.151,92.93,17.24,108.109,38.44,71.71,51.52,(13.84,-14.98,;13.84,-13.44,;15.18,-12.67,;16.51,-13.44,;15.18,-11.13,;13.84,-10.36,;12.5,-11.13,;12.5,-12.67,;11.18,-10.36,;11.18,-8.82,;12.5,-8.05,;12.5,-6.51,;13.84,-5.74,;13.84,-4.2,;9.84,-11.13,;8.51,-10.37,;8.51,-8.83,;7.18,-11.14,;7.18,-12.68,;8.51,-13.45,;9.92,-12.82,;10.95,-13.97,;10.18,-15.3,;8.67,-14.98,;5.85,-10.37,;4.51,-11.14,;4.51,-12.68,;3.18,-10.37,;3.18,-8.83,;4.51,-8.06,;4.51,-6.52,;5.85,-5.75,;5.85,-4.21,;7.18,-3.44,;4.51,-3.44,;1.85,-11.14,;.51,-10.37,;.51,-8.83,;-.82,-11.14,;-.82,-12.68,;.51,-13.45,;.51,-14.99,;1.85,-15.76,;-.82,-15.76,;-2.15,-10.37,;-3.48,-11.13,;-3.48,-12.67,;-4.81,-10.36,;-6.15,-11.13,;-7.48,-10.36,;-7.48,-8.82,;-8.81,-11.13,;-10.15,-10.36,;-8.81,-12.67,;-7.48,-13.44,;-7.48,-14.98,;-6.15,-12.67,;-4.81,-8.82,;-6.15,-8.05,;-3.48,-8.05,;16.51,-10.36,;16.51,-8.82,;17.84,-11.13,;19.18,-10.36,;19.18,-8.82,;20.51,-8.05,;20.51,-6.51,;21.84,-8.82,;20.51,-11.13,;20.51,-12.67,;21.84,-10.37,;23.18,-11.14,;23.18,-12.68,;24.51,-13.45,;25.92,-12.82,;26.95,-13.97,;26.18,-15.3,;24.67,-14.98,;24.51,-10.37,;24.51,-8.83,;25.85,-11.14,;27.18,-10.37,;27.18,-8.83,;28.51,-8.06,;28.51,-6.52,;29.85,-5.75,;29.85,-4.21,;31.18,-3.44,;28.51,-3.44,;28.51,-11.14,;28.51,-12.68,;29.85,-10.37,;31.18,-11.14,;31.18,-12.68,;32.51,-13.45,;32.51,-14.99,;33.85,-12.68,;32.51,-10.37,;32.51,-8.83,;33.85,-11.13,;35.19,-10.36,;35.19,-8.82,;36.51,-8.05,;36.51,-6.51,;37.85,-8.82,;36.51,-11.13,;36.51,-12.67,;37.85,-10.36,;39.19,-11.13,;39.19,-12.67,;40.52,-13.44,;40.52,-14.98,;41.85,-15.75,;39.19,-15.75,;40.52,-10.36,;40.52,-8.82,;41.85,-11.13,;43.19,-10.36,;43.19,-8.82,;44.52,-8.05,;44.52,-6.51,;45.85,-5.74,;43.19,-5.74,;44.52,-11.13,;44.52,-12.67,;45.85,-10.36,;47.19,-11.13,;48.52,-10.36,;48.52,-8.82,;49.86,-11.12,;51.19,-10.35,;51.19,-8.81,;52.52,-8.04,;52.52,-11.12,;52.52,-12.66,;53.86,-10.35,;54.29,-8.87,;55.83,-8.83,;56.34,-10.28,;55.13,-11.22,;55.17,-12.76,;53.86,-13.57,;56.53,-13.49,;57.86,-12.72,;57.86,-11.18,;59.19,-10.41,;59.19,-13.49,;59.19,-15.03,;60.53,-12.72,;61.86,-13.49,;61.86,-15.03,;63.19,-15.8,;64.53,-15.03,;63.19,-17.34,;63.19,-12.72,;64.53,-13.49,;63.19,-11.18,)| Show InChI InChI=1S/C96H161N31O30/c1-12-50(10)75(125-83(145)55(18-13-14-28-97)113-87(149)64(36-52-39-104-44-109-52)120-80(142)56(19-15-29-106-95(100)101)112-82(144)60(24-27-73(135)136)117-92(154)76(51(11)130)126-77(139)54(98)32-46(2)3)91(153)122-63(35-49(8)9)86(148)121-65(37-53-40-105-45-110-53)88(150)114-57(20-16-30-107-96(102)103)79(141)118-62(34-48(6)7)85(147)119-61(33-47(4)5)84(146)116-59(22-25-70(99)131)81(143)115-58(23-26-72(133)134)78(140)108-41-71(132)111-68(43-129)93(155)127-31-17-21-69(127)90(152)124-67(42-128)89(151)123-66(94(156)157)38-74(137)138/h39-40,44-51,54-69,75-76,128-130H,12-38,41-43,97-98H2,1-11H3,(H2,99,131)(H,104,109)(H,105,110)(H,108,140)(H,111,132)(H,112,144)(H,113,149)(H,114,150)(H,115,143)(H,116,146)(H,117,154)(H,118,141)(H,119,147)(H,120,142)(H,121,148)(H,122,153)(H,123,151)(H,124,152)(H,125,145)(H,126,139)(H,133,134)(H,135,136)(H,137,138)(H,156,157)(H4,100,101,106)(H4,102,103,107)/t50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,75-,76-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of iodoacetamide-fluorescein-labeled SRC3 from ERalpha by TR-FRET assay				Bioorg Med Chem Lett 17: 4118-22 (2007) Article DOI: 10.1016/j.bmcl.2007.05.058 BindingDB Entry DOI: 10.7270/Q2H70FHS
					More data for this Ligand-Target Pair