BDBM50098612 10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-19-(2-methylamino-3-phenyl-propionylamino)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (1-carbamoyl-2-hydroxy-propyl)-amide::CHEMBL407571

SMILES: CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=ZYZIUEVCVLJYFN-ACHDUQACSA-N

Data: 5 Kd

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 = 50098612   

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 1 (Homo sapiens (Human))	BDBM50098612 (10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50098612 (10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.89	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity was determined on cloned human somatostatin receptor-1 (hsst5)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50098612 (10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity was determined on cloned human somatostatin receptor-1 (hsst4)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50098612 (10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.03	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity was determined on cloned human somatostatin receptor-1 (hsst2)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50098612 (10-(4-Amino-butyl)-16-benzyl-7-(1-hydroxy-ethyl)-1...) Show SMILES CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(52)64)60-49(70)40-27-73-72-26-39(58-45(66)36(53-3)22-30-14-6-4-7-15-30)48(69)56-37(23-31-16-8-5-9-17-31)46(67)57-38(24-32-25-54-34-19-11-10-18-33(32)34)47(68)55-35(20-12-13-21-51)44(65)61-42(29(2)63)50(71)59-40/h4-11,14-19,25,28-29,35-42,53-54,62-63H,12-13,20-24,26-27,51H2,1-3H3,(H2,52,64)(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,71)(H,60,70)(H,61,65)/t28-,29-,35+,36-,37+,38+,39-,40+,41+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	17.9	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Binding affinity was determined on cloned human somatostatin receptor-1 (hsst3)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair