BDBM50281807 (S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::(S)-2-{(2S,4S)-2-[(S)-2-{[1-((2S,3S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL8454

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=AZPIPGJWKAFFJL-BCAOEVRMSA-N

Data: 2 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 2 hits for monomerid = 50281807   

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)	BDBM50281807 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-h...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H52N6O7/c1-5-20(4)27(30(42)36-25(32(44)45)17-19(2)3)37-28(40)24(18-21-11-13-22(39)14-12-21)35-29(41)26-10-8-16-38(26)31(43)23(34)9-6-7-15-33/h11-14,19-20,23-27,39H,5-10,15-18,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t20-,23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	688	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Neurotensin receptor binding affinity by displacement of [3H]- neurotensin				Bioorg Med Chem Lett 3: 1035-1040 (1993) Article DOI: 10.1016/S0960-894X(00)80282-6 BindingDB Entry DOI: 10.7270/Q27S7NQN
					More data for this Ligand-Target Pair
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50281807 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-h...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H52N6O7/c1-5-20(4)27(30(42)36-25(32(44)45)17-19(2)3)37-28(40)24(18-21-11-13-22(39)14-12-21)35-29(41)26-10-8-16-38(26)31(43)23(34)9-6-7-15-33/h11-14,19-20,23-27,39H,5-10,15-18,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)(H,44,45)/t20-,23-,24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against rat neurotensin receptor.				Bioorg Med Chem Lett 3: 2055-2060 (1993) Article DOI: 10.1016/S0960-894X(01)81014-3 BindingDB Entry DOI: 10.7270/Q2M045XW
					More data for this Ligand-Target Pair