BDBM50322368 (S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3-methylbutylamino)-3,3-dimethyl-1-oxobutan-2-ylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-ylamino)-N,N,N,4-tetramethyl-5-oxopentan-1-aminium::CHEMBL1172376

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

InChI Key: InChIKey=NWPZHWJQSGWXSJ-BJAKLJBYSA-O

Data: 1 Kd  3 EC50

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 4 hits for monomerid = 50322368   

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))	BDBM50322368 ((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Medical University of South Carolina Campus Curated by ChEMBL					Assay Description Binding affinity to human NTR2 by gamma counting				J Med Chem 53: 4623-32 (2010) Article DOI: 10.1021/jm100092s BindingDB Entry DOI: 10.7270/Q2DF6RDK
					More data for this Ligand-Target Pair
Neurotensin receptor 2 (Rattus norvegicus)	BDBM50322368 ((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Campus Curated by ChEMBL					Assay Description Displacement of [125I]NT from rat NTR2 by gamma counting				J Med Chem 53: 4623-32 (2010) Article DOI: 10.1021/jm100092s BindingDB Entry DOI: 10.7270/Q2DF6RDK
					More data for this Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50322368 ((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Medical University of South Carolina Campus Curated by ChEMBL					Assay Description Binding affinity to human NTR1 by gamma counting				J Med Chem 53: 4623-32 (2010) Article DOI: 10.1021/jm100092s BindingDB Entry DOI: 10.7270/Q2DF6RDK
					More data for this Ligand-Target Pair
Neurotensin receptor 1 (Rattus norvegicus)	BDBM50322368 ((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Medical University of South Carolina Campus Curated by ChEMBL					Assay Description Agonist activity at rat NTR1 expressed in LTK cells assessed as calcium mobilization				J Med Chem 53: 4623-32 (2010) Article DOI: 10.1021/jm100092s BindingDB Entry DOI: 10.7270/Q2DF6RDK
					More data for this Ligand-Target Pair