BDBM50086639 (S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-guanidino-pentanoyl)-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-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::Arg-Pro-Tyr-Ile-Leu::CHEMBL48981

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

InChI Key: InChIKey=ORFISQWLBSTJAE-KTHKBMNISA-N

Data: 1 KI  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 2 hits for monomerid = 50086639   

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 (Homo sapiens (Human))	BDBM50086639 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.				Bioorg Med Chem Lett 9: 2579-82 (1999) BindingDB Entry DOI: 10.7270/Q27M0B4X
					More data for this Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50086639 ((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells				Bioorg Med Chem Lett 10: 453-5 (2000) BindingDB Entry DOI: 10.7270/Q2X929H9
					More data for this Ligand-Target Pair