BDBM50370053 CHEMBL1793861

SMILES: C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1

InChI Key: InChIKey=BOHSAABACOZNKD-KSDCUIEQSA-N

Data: 5 KI

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 = 50370053   

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))	BDBM50370053 (CHEMBL1793861) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-2 receptor expressed on CHO cells				J Med Chem 44: 1305-11 (2001) BindingDB Entry DOI: 10.7270/Q2Z038VZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50370053 (CHEMBL1793861) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-3 receptor expressed on CHO cells				J Med Chem 44: 1305-11 (2001) BindingDB Entry DOI: 10.7270/Q2Z038VZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50370053 (CHEMBL1793861) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-5 receptor expressed on CHO cells				J Med Chem 44: 1305-11 (2001) BindingDB Entry DOI: 10.7270/Q2Z038VZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50370053 (CHEMBL1793861) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-4 receptor expressed on CHO cells				J Med Chem 44: 1305-11 (2001) BindingDB Entry DOI: 10.7270/Q2Z038VZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 1 (Homo sapiens (Human))	BDBM50370053 (CHEMBL1793861) Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tulane University Health Sciences Center Curated by ChEMBL					Assay Description Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-1 receptor expressed on CHO cells				J Med Chem 44: 1305-11 (2001) BindingDB Entry DOI: 10.7270/Q2Z038VZ
					More data for this Ligand-Target Pair