BDBM50444948 CHEMBL3099768

SMILES: CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(C)cccc1C)-c1ccnc2cc(Cl)ccc12)C(O)=O

InChI Key: InChIKey=RNLWKLLYIRKGRS-NRFANRHFSA-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 = 50444948   

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))	BDBM50444948 (CHEMBL3099768) Show SMILES CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(C)cccc1C)-c1ccnc2cc(Cl)ccc12)C(O)=O |r,wD:4.4,(40.52,-45.74,;41.15,-44.33,;42.68,-44.17,;40.24,-43.09,;40.86,-41.68,;39.95,-40.44,;38.42,-40.6,;37.8,-42.01,;37.51,-39.36,;37.99,-37.89,;36.74,-36.99,;35.5,-37.9,;35.97,-39.36,;33.97,-37.77,;33.1,-39.04,;33.76,-40.43,;31.57,-38.92,;30.9,-37.53,;31.77,-36.26,;33.31,-36.38,;34.18,-35.11,;36.74,-35.45,;35.41,-34.68,;35.41,-33.13,;36.74,-32.36,;38.07,-33.12,;39.39,-32.35,;40.73,-33.1,;42.06,-32.32,;40.75,-34.66,;39.41,-35.43,;38.07,-34.67,;42.39,-41.51,;43.31,-42.76,;43.02,-40.11,)| Show InChI InChI=1S/C27H27ClN4O3/c1-15(2)12-21(27(34)35)31-26(33)22-14-32(25(30-22)24-16(3)6-5-7-17(24)4)23-10-11-29-20-13-18(28)8-9-19(20)23/h5-11,13-15,21H,12H2,1-4H3,(H,31,33)(H,34,35)/t21-/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	9.20E+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
					More data for this Ligand-Target Pair