BDBM50098616 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-11-methyl-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::CHEMBL412466

SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O

InChI Key: InChIKey=HMXVKJKGTQRUOL-JDBXKHNRSA-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 = 50098616   

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))	BDBM50098616 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,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	1.84	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 1 (Homo sapiens (Human))	BDBM50098616 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,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	867	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 4 (Homo sapiens (Human))	BDBM50098616 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,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 5 (Homo sapiens (Human))	BDBM50098616 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,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	8.41	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 3 (Homo sapiens (Human))	BDBM50098616 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O10S2/c1-28(62)41(43(53)64)59-47(68)39-27-73-72-26-38(57-44(65)34(52)22-30-14-6-4-7-15-30)46(67)55-36(23-31-16-8-5-9-17-31)45(66)56-37(24-32-25-54-35-19-11-10-18-33(32)35)50(71)61(3)40(20-12-13-21-51)48(69)60-42(29(2)63)49(70)58-39/h4-11,14-19,25,28-29,34,36-42,54,62-63H,12-13,20-24,26-27,51-52H2,1-3H3,(H2,53,64)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,68)(H,60,69)/t28-,29-,34-,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	67.5	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