Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50046544'   

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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50046544 (CHEMBL409634 | Tyr-Pro-Ser-Lys-Pro-Asp-c((D-Cys)-A...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C146H227N43O38S2/c1-11-77(7)115(137(221)179-102(67-112(150)198)128(212)174-98(61-76(5)6)130(214)186-116(78(8)12-2)138(222)187-117(80(10)192)139(223)171-94(30-23-57-164-146(157)158)121(205)170-95(50-51-111(149)197)124(208)168-93(29-22-56-163-145(155)156)123(207)180-104(142(226)227)65-84-40-48-89(196)49-41-84)185-131(215)100(64-83-38-46-88(195)47-39-83)175-127(211)101(66-85-69-159-74-165-85)177-122(206)92(28-21-55-162-144(153)154)169-125(209)97(60-75(3)4)173-118(202)79(9)166-132(216)105(70-190)181-126(210)99(63-82-36-44-87(194)45-37-82)176-134(218)108-73-229-228-72-107(119(203)160-53-19-15-13-14-16-33-113(199)167-91(120(204)184-108)27-20-54-161-143(151)152)183-129(213)103(68-114(200)201)178-135(219)110-32-25-59-189(110)141(225)96(26-17-18-52-147)172-133(217)106(71-191)182-136(220)109-31-24-58-188(109)140(224)90(148)62-81-34-42-86(193)43-35-81/h34-49,69,74-80,90-110,115-117,190-196H,11-33,50-68,70-73,147-148H2,1-10H3,(H2,149,197)(H2,150,198)(H,159,165)(H,160,203)(H,166,216)(H,167,199)(H,168,208)(H,169,209)(H,170,205)(H,171,223)(H,172,217)(H,173,202)(H,174,212)(H,175,211)(H,176,218)(H,177,206)(H,178,219)(H,179,221)(H,180,207)(H,181,210)(H,182,220)(H,183,213)(H,184,204)(H,185,215)(H,186,214)(H,187,222)(H,200,201)(H,226,227)(H4,151,152,161)(H4,153,154,162)(H4,155,156,163)(H4,157,158,164)/t77-,78-,79-,80+,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101+,102-,103-,104-,105-,106+,107-,108+,109+,110-,115-,116-,117-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells				J Med Chem 36: 385-93 (1993) BindingDB Entry DOI: 10.7270/Q2WS8S96
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