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BDBM84616 BIM 23069::CAS_150155-67-2::L-Alaninamide,4-chloro-D-phenylalanyl-L-alanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-alanyl-3-(2-naphthalenyl)-(9CI)

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O

InChI Key: InChIKey=LBQRHIOWEQVTQJ-MMHRVOHXNA-N

Data: 8 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 8 hits for monomerid = 84616   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
SSTR4


(RAT)
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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22n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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Article
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55.5n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
SSTR3


(MOUSE)
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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143n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84616
PNG
(BIM 23069 | CAS_150155-67-2 | L-Alaninamide,4-chlo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C(C)=O
Show InChI InChI=1/C47H62ClN9O8/c1-26(2)41(47(65)52-27(3)29(5)58)57-44(62)38(12-8-9-21-49)54-46(64)40(24-32-25-51-37-11-7-6-10-35(32)37)56-45(63)39(23-31-15-19-34(59)20-16-31)55-42(60)28(4)53-43(61)36(50)22-30-13-17-33(48)18-14-30/h6-7,10-11,13-20,25-28,36,38-41,51,59H,8-9,12,21-24,49-50H2,1-5H3,(H,52,65)(H,53,61)(H,54,64)(H,55,60)(H,56,63)(H,57,62)/t27-,28-,36+,38-,39-,40+,41-/s2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair