BDBM50015511 CHEMBL3265049

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O

InChI Key: InChIKey=LPWQYVIMWOVNJE-BAXQJZDKSA-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 = 50015511   

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))	BDBM50015511 (CHEMBL3265049) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C82H122N18O20S/c1-7-28-98-29-13-17-58(98)49-89-74(106)60-41-55(43-66(115-5)72(60)116-6)16-15-40-121-67-46-70(104)100(80(67)112)30-11-9-10-20-68(102)87-27-33-118-35-37-120-39-38-119-36-34-117-32-25-69(103)93-62(44-56-47-85-50-90-56)76(108)92-53(4)73(105)97-71(52(3)8-2)78(110)95-63(42-54-21-23-59(101)24-22-54)79(111)99-31-14-19-65(99)77(109)94-61(18-12-26-88-82(83)84)75(107)96-64(81(113)114)45-57-48-86-51-91-57/h7,21-24,41,43,47-48,50-53,58,61-65,67,71,101H,1,8-20,25-40,42,44-46,49H2,2-6H3,(H,85,90)(H,86,91)(H,87,102)(H,89,106)(H,92,108)(H,93,103)(H,94,109)(H,95,110)(H,96,107)(H,97,105)(H,113,114)(H4,83,84,88)/t52-,53-,58-,61-,62-,63-,64-,65-,67?,71-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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