BDBM50033675 (S)-2-[(S)-5-({1-[2-(2-Amino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-2-benzyl-6-(4-hydroxy-phenyl)-4-oxo-hexanoylamino]-4-methyl-pentanoic acid::CHEMBL7674

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)Cc1ccccc1)C(O)=O

InChI Key: InChIKey=XITHLWPPLFKPTF-CLUARRIMSA-N

Data: 1 IC50

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 = 50033675   

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
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50033675 ((S)-2-[(S)-5-({1-[2-(2-Amino-5-guanidino-pentanoyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H63N11O8/c1-25(2)21-33(40(60)61)52-36(56)28(22-26-9-4-3-5-10-26)24-35(55)32(23-27-14-16-29(54)17-15-27)51-38(58)34-13-8-20-53(34)39(59)31(12-7-19-49-42(46)47)50-37(57)30(43)11-6-18-48-41(44)45/h3-5,9-10,14-17,25,28,30-34,54H,6-8,11-13,18-24,43H2,1-2H3,(H,50,57)(H,51,58)(H,52,56)(H,60,61)(H4,44,45,48)(H4,46,47,49)/t28-,30?,31?,32?,33-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer				J Med Chem 38: 1015-21 (1995) BindingDB Entry DOI: 10.7270/Q2DZ08ZV
					More data for this Ligand-Target Pair