BDBM50444959 CHEMBL3099774

SMILES: COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CC(C)C)C(O)=O

InChI Key: InChIKey=OUZUXYQXCXYGMX-LJQANCHMSA-N

Data: 1 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 1 hit for monomerid = 50444959   

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))	BDBM50444959 (CHEMBL3099774) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@H](CC(C)C)C(O)=O |r,wU:29.32,(16.64,-10.24,;17.78,-9.2,;17.46,-7.7,;15.99,-7.23,;15.66,-5.72,;16.81,-4.69,;18.27,-5.16,;19.42,-4.13,;19.1,-2.62,;18.59,-6.67,;20.05,-7.14,;20.53,-8.6,;22.07,-8.6,;22.54,-7.13,;21.3,-6.23,;21.3,-4.69,;19.96,-3.92,;19.97,-2.38,;21.29,-1.61,;22.63,-2.37,;23.96,-1.6,;25.29,-2.36,;26.62,-1.58,;25.3,-3.91,;23.97,-4.68,;22.63,-3.91,;22.98,-9.84,;22.36,-11.25,;24.51,-9.68,;25.42,-10.92,;24.8,-12.33,;25.7,-13.58,;25.08,-14.98,;27.24,-13.41,;26.95,-10.76,;27.86,-12,;27.58,-9.35,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m1/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	9.40E+3	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
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