Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Growth hormone-releasing hormone receptor' and Ligand = 'BDBM50004978'   

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
Growth hormone-releasing hormone receptor (Rattus norvegicus)	BDBM50004978 (CHEMBL262750 | GRF-analogues) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C153H253N45O43S/c1-20-80(13)120(196-126(217)84(17)172-136(227)107(69-117(210)211)183-125(216)83(16)171-135(226)103(175-115(208)40-29-56-156)66-87-41-45-89(203)46-42-87)149(240)190-105(65-86-33-23-22-24-34-86)142(233)198-122(85(18)202)150(241)191-106(68-114(159)207)141(232)194-111(74-201)146(237)187-104(67-88-43-47-90(204)48-44-88)140(231)180-95(39-32-59-169-153(165)166)129(220)179-93(36-26-28-55-155)134(225)195-119(79(11)12)147(238)189-99(61-75(3)4)127(218)170-71-116(209)174-96(49-51-112(157)205)131(222)185-102(64-78(9)10)139(230)193-109(72-199)144(235)173-82(15)124(215)177-94(38-31-58-168-152(163)164)128(219)178-92(35-25-27-54-154)130(221)184-101(63-77(7)8)138(229)186-100(62-76(5)6)137(228)181-97(50-52-113(158)206)132(223)188-108(70-118(212)213)143(234)197-121(81(14)21-2)148(239)182-98(53-60-242-19)133(224)192-110(73-200)145(236)176-91(123(160)214)37-30-57-167-151(161)162/h22-24,33-34,41-48,75-85,91-111,119-122,199-204H,20-21,25-32,35-40,49-74,154-156H2,1-19H3,(H2,157,205)(H2,158,206)(H2,159,207)(H2,160,214)(H,170,218)(H,171,226)(H,172,227)(H,173,235)(H,174,209)(H,175,208)(H,176,236)(H,177,215)(H,178,219)(H,179,220)(H,180,231)(H,181,228)(H,182,239)(H,183,216)(H,184,221)(H,185,222)(H,186,229)(H,187,237)(H,188,223)(H,189,238)(H,190,240)(H,191,241)(H,192,224)(H,193,230)(H,194,232)(H,195,225)(H,196,217)(H,197,234)(H,198,233)(H,210,211)(H,212,213)(H4,161,162,167)(H4,163,164,168)(H4,165,166,169)/t80-,81-,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,119-,120-,121-,122-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Compound was tested to Inhibit [125I]-Growth hormone-releasing factor in rat adenopituitary homogenates				J Med Chem 35: 1864-9 (1992) BindingDB Entry DOI: 10.7270/Q2Z0373P
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