BDBM50445044 CHEMBL3098765::US10195186, Example 36::US9682967, 34

SMILES: Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1

InChI Key: InChIKey=XPTZYUYHLHWETQ-UHFFFAOYSA-N

Data: 2 KI  3 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 4 hits for monomerid = 50445044   

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 3 (Homo sapiens (Human))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	467	n/a	490	n/a	n/a	n/a	n/a	7.4	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US9682967 (2017) BindingDB Entry DOI: 10.7270/Q22805SC
					More data for this Ligand-Target Pair
Neurotensin receptor 3 (Homo sapiens (Human))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	714	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US10195186 (2019) BindingDB Entry DOI: 10.7270/Q2474CZW
					More data for this Ligand-Target Pair
Neurotensin receptor 3 (Homo sapiens (Human))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% ...				US Patent US10195186 (2019) BindingDB Entry DOI: 10.7270/Q2474CZW
					More data for this Ligand-Target Pair
Neurotensin receptor 3 (Homo sapiens (Human))	BDBM50445044 (CHEMBL3098765 | US10195186, Example 36 | US9682967...) Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1 Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...				Bioorg Med Chem Lett 24: 177-80 (2013) Article DOI: 10.1016/j.bmcl.2013.11.046 BindingDB Entry DOI: 10.7270/Q2RN39BB
					More data for this Ligand-Target Pair