BDBM50015493 CHEMBL3265039

SMILES: COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)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](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC

InChI Key: InChIKey=UYYFSAYTJHQCKJ-SNJMGREUSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015493   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50015493 (CHEMBL3265039) Show SMILES COc1cc(CCCSC2CC(=O)N(CCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)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](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C2=O)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C83H147N33O17S/c1-4-41-115-42-18-21-50(115)48-105-67(120)51-45-49(46-61(132-2)66(51)133-3)20-19-44-134-62-47-65(119)116(76(62)129)43-11-5-6-30-64(118)106-52(24-12-35-99-78(87)88)68(121)107-53(22-7-9-33-84)69(122)108-54(23-8-10-34-85)70(123)109-55(25-13-36-100-79(89)90)71(124)110-57(27-15-38-102-81(93)94)73(126)113-59(31-32-63(86)117)75(128)112-56(26-14-37-101-80(91)92)72(125)111-58(28-16-39-103-82(95)96)74(127)114-60(77(130)131)29-17-40-104-83(97)98/h4,45-46,50,52-60,62H,1,5-44,47-48,84-85H2,2-3H3,(H2,86,117)(H,105,120)(H,106,118)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,128)(H,113,126)(H,114,127)(H,130,131)(H4,87,88,99)(H4,89,90,100)(H4,91,92,101)(H4,93,94,102)(H4,95,96,103)(H4,97,98,104)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.70	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
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