Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50015524'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015524 (CHEMBL3265319) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C169H253N37O53S/c1-6-58-205-59-25-34-113(205)96-182-150(231)116-86-112(92-131(250-4)149(116)251-5)33-26-85-260-132-95-141(220)206(166(132)247)60-22-10-17-39-135(214)178-57-70-253-72-74-255-76-78-257-80-82-259-84-83-258-81-79-256-77-75-254-73-71-252-69-52-136(215)199-147(105(2)208)164(245)197-126(89-109-31-15-9-16-32-109)160(241)193-125(88-108-29-13-8-14-30-108)159(240)192-123(90-110-40-44-114(210)45-41-110)152(233)183-97-137(216)181-98-138(217)186-130(104-207)163(244)187-117(37-23-55-179-168(173)174)151(232)184-99-139(218)185-118(36-19-21-54-177-140(219)100-201-61-63-202(101-144(225)226)65-67-204(103-146(229)230)68-66-203(64-62-201)102-145(227)228)153(234)188-120(38-24-56-180-169(175)176)154(235)195-127(93-133(171)212)162(243)196-128(94-134(172)213)161(242)194-124(87-107-27-11-7-12-28-107)158(239)189-119(35-18-20-53-170)157(238)200-148(106(3)209)165(246)191-122(49-51-143(223)224)155(236)190-121(48-50-142(221)222)156(237)198-129(167(248)249)91-111-42-46-115(211)47-43-111/h6-9,11-16,27-32,40-47,86,92,105-106,113,117-130,132,147-148,207-211H,1,10,17-26,33-39,48-85,87-91,93-104,170H2,2-5H3,(H2,171,212)(H2,172,213)(H,177,219)(H,178,214)(H,181,216)(H,182,231)(H,183,233)(H,184,232)(H,185,218)(H,186,217)(H,187,244)(H,188,234)(H,189,239)(H,190,236)(H,191,246)(H,192,240)(H,193,241)(H,194,242)(H,195,235)(H,196,243)(H,197,245)(H,198,237)(H,199,215)(H,200,238)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,248,249)(H4,173,174,179)(H4,175,176,180)/t105-,106-,113+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,132?,147+,148+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair