BDBM50136791 (S)-25-Amino-19-(4-amino-benzyl)-13-(4-amino-butyl)-7,22-dibenzyl-10-((S)-1-hydroxy-ethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18-penta(S)-oxo-21-(R)-oxo-24-oxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclohexacosane-4-carboxylic acid::CHEMBL439902

SMILES: C[C@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O

InChI Key: InChIKey=VUQNPLGWWWUULY-BYOJIRNZSA-N

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 = 50136791   

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))	BDBM50136791 ((S)-25-Amino-19-(4-amino-benzyl)-13-(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](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44-,45-,46-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity towards human somatostatin receptor type 2 using [125I]-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand.				J Med Chem 46: 5597-605 (2003) Article DOI: 10.1021/jm030245x BindingDB Entry DOI: 10.7270/Q2MK6C9X
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50136791 ((S)-25-Amino-19-(4-amino-benzyl)-13-(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](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44-,45-,46-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity towards human somatostatin receptor type 4 using [125I]-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand.				J Med Chem 46: 5597-605 (2003) Article DOI: 10.1021/jm030245x BindingDB Entry DOI: 10.7270/Q2MK6C9X
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50136791 ((S)-25-Amino-19-(4-amino-benzyl)-13-(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](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44-,45-,46-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity towards human somatostatin receptor type 5 using [125I]-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand.				J Med Chem 46: 5597-605 (2003) Article DOI: 10.1021/jm030245x BindingDB Entry DOI: 10.7270/Q2MK6C9X
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50136791 ((S)-25-Amino-19-(4-amino-benzyl)-13-(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](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44-,45-,46-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity towards human somatostatin receptor type 3 using [125I]-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand.				J Med Chem 46: 5597-605 (2003) Article DOI: 10.1021/jm030245x BindingDB Entry DOI: 10.7270/Q2MK6C9X
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50136791 ((S)-25-Amino-19-(4-amino-benzyl)-13-(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](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44-,45-,46-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity towards human somatostatin receptor type 1 using [125I]-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand.				J Med Chem 46: 5597-605 (2003) Article DOI: 10.1021/jm030245x BindingDB Entry DOI: 10.7270/Q2MK6C9X
					More data for this Ligand-Target Pair