BDBM50059088 (3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-15-benzyl-6-((R)-1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid::CHEMBL306702

SMILES: C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@@H](NC1=O)C(O)=O

InChI Key: InChIKey=UVIRGNNFCYBSOY-AVTGEJSLSA-N

Data: 4 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 = 50059088   

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
SSTR3 (MOUSE)	BDBM50059088 ((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@@H](NC1=O)C(O)=O Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of California at San Diego Curated by ChEMBL					Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3				J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX
					More data for this Ligand-Target Pair
SSTR5 (RAT)	BDBM50059088 ((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@@H](NC1=O)C(O)=O Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5				J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX
					More data for this Ligand-Target Pair
SSTR2 (MOUSE)	BDBM50059088 ((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@@H](NC1=O)C(O)=O Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
University of California at San Diego Curated by ChEMBL					Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b				J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50059088 ((3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSC[C@@H](NC1=O)C(O)=O Show InChI InChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of California at San Diego Curated by ChEMBL					Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4				J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX
					More data for this Ligand-Target Pair