BDBM50165176 4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpropanamido)-4-{[(2R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]butan-1-aminium::Radiolabeled octreotide derivative

SMILES: CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1

InChI Key: InChIKey=LHCIROHUTQLZCZ-QCAGDILPSA-P

Data: 5 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 5 hits for monomerid = 50165176   

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 5 (Homo sapiens (Human))	BDBM50165176 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50165176 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=2)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50165176 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50165176 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibitory concentration against somatostatin receptor type 1 expressed in CHO-K1 cells using [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 as ...				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50165176 (4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpro...) Show SMILES CC(O)[C@@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)/p+2/t27?,28?,34?,36-,37-,38+,39+,40?,41-,42-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t M£nchen Curated by ChEMBL					Assay Description In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=2)				J Med Chem 48: 2778-89 (2005) Article DOI: 10.1021/jm040794i BindingDB Entry DOI: 10.7270/Q26T0ND0
					More data for this Ligand-Target Pair