BDBM50015535 CHEMBL3265327

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

InChI Key: InChIKey=RTNFTLGNKNLZQF-IHHWSYFASA-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 = 50015535   

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))	BDBM50015535 (CHEMBL3265327) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C55H102N20O13S/c1-30(2)29-39(50(84)73-38(22-28-89-5)52(86)75-27-12-17-40(75)53(87)88)74-47(81)33(14-7-9-24-57)68-48(82)36(18-20-41(58)76)71-46(80)35(16-11-26-66-55(63)64)69-44(78)32(13-6-8-23-56)67-45(79)34(15-10-25-65-54(61)62)70-49(83)37(19-21-42(59)77)72-51(85)43(60)31(3)4/h30-40,43H,6-29,56-57,60H2,1-5H3,(H2,58,76)(H2,59,77)(H,67,79)(H,68,82)(H,69,78)(H,70,83)(H,71,80)(H,72,85)(H,73,84)(H,74,81)(H,87,88)(H4,61,62,65)(H4,63,64,66)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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