BDBM50015536 CHEMBL3265328

SMILES: NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=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

InChI Key: InChIKey=XOBCYBIYOHGQPS-IZROAPMXSA-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 = 50015536   

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))	BDBM50015536 (CHEMBL3265328) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=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 |r| Show InChI InChI=1S/C52H101N27O11/c53-21-3-1-12-30(72-39(81)29(55)11-5-23-67-48(57)58)40(82)73-31(13-2-4-22-54)42(84)77-35(16-8-26-70-51(63)64)46(88)79-28-10-18-37(79)45(87)76-34(19-20-38(56)80)44(86)75-32(14-6-24-68-49(59)60)41(83)74-33(15-7-25-69-50(61)62)43(85)78-36(47(89)90)17-9-27-71-52(65)66/h29-37H,1-28,53-55H2,(H2,56,80)(H,72,81)(H,73,82)(H,74,83)(H,75,86)(H,76,87)(H,77,84)(H,78,85)(H,89,90)(H4,57,58,67)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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