Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50015496'   

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))	BDBM50015496 (CHEMBL3265042) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C164H265N35O41S/c1-28-63-198-64-44-47-105(198)82-171-144(217)108-74-103(76-126(239-26)138(108)240-27)46-45-66-241-127-80-132(207)199(163(127)236)65-43-31-32-54-128(203)170-83-129(204)181-121(77-104-81-169-109-49-34-33-48-107(104)109)158(231)197-137(101(25)201)162(235)191-119(72-92(14)15)154(227)190-122(78-133(208)209)157(230)194-125(86-200)159(232)175-96(20)139(212)172-84-131(206)180-120(75-102-55-57-106(202)58-56-102)155(228)188-118(71-91(12)13)153(226)187-114(67-87(4)5)145(218)173-85-130(205)179-110(50-35-39-59-165)148(221)195-135(94(18)29-2)160(233)192-123(79-134(210)211)156(229)189-117(70-90(10)11)152(225)184-111(51-36-40-60-166)146(219)176-100(24)143(216)186-115(68-88(6)7)150(223)177-97(21)140(213)174-98(22)142(215)185-116(69-89(8)9)151(224)178-99(23)141(214)182-112(52-37-41-61-167)147(220)183-113(53-38-42-62-168)149(222)196-136(95(19)30-3)161(234)193-124(164(237)238)73-93(16)17/h28,33-34,48-49,55-58,74,76,81,87-101,105,110-125,127,135-137,169,200-202H,1,29-32,35-47,50-54,59-73,75,77-80,82-86,165-168H2,2-27H3,(H,170,203)(H,171,217)(H,172,212)(H,173,218)(H,174,213)(H,175,232)(H,176,219)(H,177,223)(H,178,224)(H,179,205)(H,180,206)(H,181,204)(H,182,214)(H,183,220)(H,184,225)(H,185,215)(H,186,216)(H,187,226)(H,188,228)(H,189,229)(H,190,227)(H,191,235)(H,192,233)(H,193,234)(H,194,230)(H,195,221)(H,196,222)(H,197,231)(H,208,209)(H,210,211)(H,237,238)/t94-,95-,96-,97-,98-,99-,100-,101+,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,127?,135-,136-,137-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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