Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047229   

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
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50155307 (CHEMBL3781796) Show SMILES [H]C1(NC(=O)C(Cc2ccccc2)NC(=O)C([H])(NC(=O)C(CCCCN)NC(=O)C([H])(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CO)NC1=O)C(O)=O)NC(=O)CNC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(C)O)C(C)O)C(C)O Show InChI InChI=1S/C130H204N40O40S3/c1-64(146-106(187)75(34-18-21-44-131)151-108(189)78(37-24-47-142-129(138)139)152-111(192)80(41-42-98(181)182)154-109(190)79(38-25-48-143-130(140)141)155-122(203)93-40-26-49-169(93)126(207)67(4)148-107(188)81(43-51-211-8)150-103(184)66(3)147-121(202)92-39-27-50-170(92)127(208)87(57-96(137)179)162-118(199)88(60-172)163-115(196)85(55-94(135)177)157-104(185)65(2)145-105(186)74(134)59-171)102(183)144-58-97(180)149-90-62-212-213-63-91(128(209)210)165-119(200)89(61-173)164-125(206)101(70(7)176)168-117(198)84(54-73-32-16-11-17-33-73)161-124(205)100(69(6)175)166-112(193)77(36-20-23-46-133)156-123(204)99(68(5)174)167-116(197)83(53-72-30-14-10-15-31-72)159-113(194)82(52-71-28-12-9-13-29-71)158-114(195)86(56-95(136)178)160-110(191)76(153-120(90)201)35-19-22-45-132/h9-17,28-33,64-70,74-93,99-101,171-176H,18-27,34-63,131-134H2,1-8H3,(H2,135,177)(H2,136,178)(H2,137,179)(H,144,183)(H,145,186)(H,146,187)(H,147,202)(H,148,188)(H,149,180)(H,150,184)(H,151,189)(H,152,192)(H,153,201)(H,154,190)(H,155,203)(H,156,204)(H,157,185)(H,158,195)(H,159,194)(H,160,191)(H,161,205)(H,162,199)(H,163,196)(H,164,206)(H,165,200)(H,166,193)(H,167,197)(H,168,198)(H,181,182)(H,209,210)(H4,138,139,142)(H4,140,141,143)/t64-,65-,66-,67-,68+,69+,70+,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85?,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [125I]tyr11-SRIF from human sst4 receptor after 60 mins by liquid scintillation counting method				Eur J Med Chem 114: 59-64 (2016) Article DOI: 10.1016/j.ejmech.2016.02.046 BindingDB Entry DOI: 10.7270/Q2WH2RWC
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50155308 (CHEMBL3780791) Show SMILES Cl.Cl.NCCCc1cc(Cl)cc2c1oc(CCc1cccc3ccccc13)cc2=O Show InChI InChI=1S/C20H26N2O2/c23-19(14-7-2-1-3-8-14)18-11-6-12-22(18)20(24)17-13-15-9-4-5-10-16(15)21-17/h1-3,7-8,15-18,21H,4-6,9-13H2/t15-,16-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [125I]tyr11-SRIF from human sst4 receptor after 60 mins by liquid scintillation counting method				Eur J Med Chem 114: 59-64 (2016) Article DOI: 10.1016/j.ejmech.2016.02.046 BindingDB Entry DOI: 10.7270/Q2WH2RWC
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50155309 (CHEMBL3780496) Show SMILES NCCCc1cc(Cl)cc2C(=O)CC(CCc3cccc4ccccc34)Oc12 Show InChI InChI=1S/C18H24N2O2S/c21-17(13-7-9-23-11-13)16-6-3-8-20(16)18(22)15-10-12-4-1-2-5-14(12)19-15/h7,9,11-12,14-16,19H,1-6,8,10H2/t12-,14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gothenburg Curated by ChEMBL					Assay Description Displacement of [125I]tyr11-SRIF from human sst4 receptor after 60 mins by liquid scintillation counting method				Eur J Med Chem 114: 59-64 (2016) Article DOI: 10.1016/j.ejmech.2016.02.046 BindingDB Entry DOI: 10.7270/Q2WH2RWC
					More data for this Ligand-Target Pair