BDBM50098611 10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-14-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::CHEMBL438471

SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O

InChI Key: InChIKey=LJUHWXKBOZQLDN-ICTGKNHMSA-N

Data: 4 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 4 hits for monomerid = 50098611   

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))	BDBM50098611 (10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,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	120	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))	BDBM50098611 (10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,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	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
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50098611 (10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,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	50.4	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 1 (Homo sapiens (Human))	BDBM50098611 (10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O Show InChI InChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-47(69)39-26-74-73-25-38(57-44(66)34(52)21-30-16-18-32(64)19-17-30)46(68)56-37(22-29-11-5-4-6-12-29)50(72)61(3)40(23-31-24-54-35-14-8-7-13-33(31)35)48(70)55-36(15-9-10-20-51)45(67)60-42(28(2)63)49(71)58-39/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,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	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 (hsst1)				J Med Chem 44: 1416-21 (2001) BindingDB Entry DOI: 10.7270/Q2M044QS
					More data for this Ligand-Target Pair