BDBM50206709 CHEMBL3890335

SMILES: CC(C)C[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O

InChI Key: InChIKey=DJSRXHVXZKWCQM-NTBXWRTMSA-N

Data: 4 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 4 hits for monomerid = 50206709   

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))	BDBM50206709 (CHEMBL3890335) Show SMILES CC(C)C[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H54BrN7O7/c1-21(2)20-26(32(46)47)40-33(48)34(15-19-49-28(34)22-11-13-23(35)14-12-22)41-30(44)27-10-7-18-42(27)31(45)25(9-4-6-17-37)39-29(43)24(38)8-3-5-16-36/h11-14,21,24-28H,3-10,15-20,36-38H2,1-2H3,(H,39,43)(H,40,48)(H,41,44)(H,46,47)/t24-,25-,26-,27-,28?,34?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+3	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
Neurotensin receptor (Homo sapiens (Human))	BDBM50206709 (CHEMBL3890335) Show SMILES CC(C)C[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H54BrN7O7/c1-21(2)20-26(32(46)47)40-33(48)34(15-19-49-28(34)22-11-13-23(35)14-12-22)41-30(44)27-10-7-18-42(27)31(45)25(9-4-6-17-37)39-29(43)24(38)8-3-5-16-36/h11-14,21,24-28H,3-10,15-20,36-38H2,1-2H3,(H,39,43)(H,40,48)(H,41,44)(H,46,47)/t24-,25-,26-,27-,28?,34?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	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
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50206709 (CHEMBL3890335) Show SMILES CC(C)C[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H54BrN7O7/c1-21(2)20-26(32(46)47)40-33(48)34(15-19-49-28(34)22-11-13-23(35)14-12-22)41-30(44)27-10-7-18-42(27)31(45)25(9-4-6-17-37)39-29(43)24(38)8-3-5-16-36/h11-14,21,24-28H,3-10,15-20,36-38H2,1-2H3,(H,39,43)(H,40,48)(H,41,44)(H,46,47)/t24-,25-,26-,27-,28?,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	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
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM50206709 (CHEMBL3890335) Show SMILES CC(C)C[C@H](NC(=O)C1(CCOC1c1ccc(Br)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r| Show InChI InChI=1S/C34H54BrN7O7/c1-21(2)20-26(32(46)47)40-33(48)34(15-19-49-28(34)22-11-13-23(35)14-12-22)41-30(44)27-10-7-18-42(27)31(45)25(9-4-6-17-37)39-29(43)24(38)8-3-5-16-36/h11-14,21,24-28H,3-10,15-20,36-38H2,1-2H3,(H,39,43)(H,40,48)(H,41,44)(H,46,47)/t24-,25-,26-,27-,28?,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.55E+4	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