BDBM50206710 CHEMBL3959801

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@]1(CCO[C@@H]1c1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=WAEAXBJMMLKOTF-XMJWERELSA-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 = 50206710   

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
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50206710 (CHEMBL3959801) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@]1(CCO[C@@H]1c1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C40H66N12O9/c1-5-23(4)30(34(56)49-28(36(58)59)21-22(2)3)50-37(60)40(16-20-61-31(40)24-12-14-25(53)15-13-24)51-33(55)29-11-8-19-52(29)35(57)27(10-7-18-47-39(44)45)48-32(54)26(41)9-6-17-46-38(42)43/h12-15,22-23,26-31,53H,5-11,16-21,41H2,1-4H3,(H,48,54)(H,49,56)(H,50,60)(H,51,55)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t23-,26-,27-,28-,29-,30-,31+,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 25: 350-359 (2017) Article DOI: 10.1016/j.bmc.2016.10.039 BindingDB Entry DOI: 10.7270/Q2DR2XG4
					More data for this Ligand-Target Pair
Neurotensin receptor (Homo sapiens (Human))	BDBM50206710 (CHEMBL3959801) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@]1(CCO[C@@H]1c1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C40H66N12O9/c1-5-23(4)30(34(56)49-28(36(58)59)21-22(2)3)50-37(60)40(16-20-61-31(40)24-12-14-25(53)15-13-24)51-33(55)29-11-8-19-52(29)35(57)27(10-7-18-47-39(44)45)48-32(54)26(41)9-6-17-46-38(42)43/h12-15,22-23,26-31,53H,5-11,16-21,41H2,1-4H3,(H,48,54)(H,49,56)(H,50,60)(H,51,55)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t23-,26-,27-,28-,29-,30-,31+,40-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [leucine-3H]NT (8 to 13 residues) from human NTS2 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 25: 350-359 (2017) Article DOI: 10.1016/j.bmc.2016.10.039 BindingDB Entry DOI: 10.7270/Q2DR2XG4
					More data for this Ligand-Target Pair