BDBM50075280 (R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-3-(4-phenyl-cyclohexyl)-imidazolidin-1-yl]-butyrylamino}-hexanoic acid tert-butyl ester::CHEMBL146536

SMILES: C[C@H]([C@@H](N1CCN(C2CCC(CC2)c2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12

InChI Key: InChIKey=WJNFRXDCJOMDIS-OTPHCBAJSA-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 = 50075280   

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
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50075280 ((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...) Show SMILES C[C@H]([C@@H](N1CCN(C2CCC(CC2)c2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12 |wU:2.2,24.26,wD:1.0,(-2.79,3.61,;-2.78,2.07,;-1.44,1.3,;-.12,2.08,;-.13,3.62,;2.54,3.63,;2.55,2.09,;3.9,1.35,;3.9,-.21,;5.23,-.96,;6.56,-.19,;6.56,1.35,;5.21,2.11,;7.89,-.96,;9.21,-.17,;10.55,-.93,;10.57,-2.48,;9.22,-3.25,;7.89,-2.5,;1.22,1.32,;1.24,-.22,;-1.44,-.23,;.1,-.24,;-2.28,-1.52,;-1.56,-2.89,;-2.39,-4.18,;-1.7,-5.56,;-2.52,-6.84,;-1.81,-8.22,;-2.65,-9.52,;-.02,-2.96,;.8,-1.66,;.68,-4.32,;.61,-5.86,;1.9,-6.7,;.54,-7.4,;-.76,-6.58,;-4.11,1.28,;-4.1,-.24,;-5.43,-1.03,;-6.76,-.26,;-8.11,-1.03,;-9.42,-.26,;-9.42,1.28,;-8.11,2.05,;-6.76,1.28,)| Show InChI InChI=1S/C37H51N5O4/c1-25(30-24-39-31-15-9-8-14-29(30)31)33(34(43)40-32(16-10-11-21-38)35(44)46-37(2,3)4)42-23-22-41(36(42)45)28-19-17-27(18-20-28)26-12-6-5-7-13-26/h5-9,12-15,24-25,27-28,32-33,39H,10-11,16-23,38H2,1-4H3,(H,40,43)/t25-,27?,28?,32+,33+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was evaluated against human Somatostatin receptor type 2 in experiment 2				Bioorg Med Chem Lett 9: 491-6 (1999) BindingDB Entry DOI: 10.7270/Q2FB5235
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50075280 ((R)-6-Amino-2-{(2R,3S)-3-(1H-indol-3-yl)-2-[2-oxo-...) Show SMILES C[C@H]([C@@H](N1CCN(C2CCC(CC2)c2ccccc2)C1=O)C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12 |wU:2.2,24.26,wD:1.0,(-2.79,3.61,;-2.78,2.07,;-1.44,1.3,;-.12,2.08,;-.13,3.62,;2.54,3.63,;2.55,2.09,;3.9,1.35,;3.9,-.21,;5.23,-.96,;6.56,-.19,;6.56,1.35,;5.21,2.11,;7.89,-.96,;9.21,-.17,;10.55,-.93,;10.57,-2.48,;9.22,-3.25,;7.89,-2.5,;1.22,1.32,;1.24,-.22,;-1.44,-.23,;.1,-.24,;-2.28,-1.52,;-1.56,-2.89,;-2.39,-4.18,;-1.7,-5.56,;-2.52,-6.84,;-1.81,-8.22,;-2.65,-9.52,;-.02,-2.96,;.8,-1.66,;.68,-4.32,;.61,-5.86,;1.9,-6.7,;.54,-7.4,;-.76,-6.58,;-4.11,1.28,;-4.1,-.24,;-5.43,-1.03,;-6.76,-.26,;-8.11,-1.03,;-9.42,-.26,;-9.42,1.28,;-8.11,2.05,;-6.76,1.28,)| Show InChI InChI=1S/C37H51N5O4/c1-25(30-24-39-31-15-9-8-14-29(30)31)33(34(43)40-32(16-10-11-21-38)35(44)46-37(2,3)4)42-23-22-41(36(42)45)28-19-17-27(18-20-28)26-12-6-5-7-13-26/h5-9,12-15,24-25,27-28,32-33,39H,10-11,16-23,38H2,1-4H3,(H,40,43)/t25-,27?,28?,32+,33+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)				Bioorg Med Chem Lett 9: 491-6 (1999) BindingDB Entry DOI: 10.7270/Q2FB5235
					More data for this Ligand-Target Pair