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BDBM84638 BIM 23070

SMILES: CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O

InChI Key: InChIKey=ZROMZGCPGMXTNI-RXIRDAQOSA-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 = 84638   
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
SSTR2


(MOUSE)
BDBM84638
PNG
(BIM 23070)
Show SMILES CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
7.80n/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
SSTR4


(RAT)
BDBM84638
PNG
(BIM 23070)
Show SMILES CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
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10n/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
SSTR3


(MOUSE)
BDBM84638
PNG
(BIM 23070)
Show SMILES CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
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111n/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 1


(Homo sapiens (Human))
BDBM84638
PNG
(BIM 23070)
Show SMILES CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
KEGG

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PC cid
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Similars

PubMed
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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84638
PNG
(BIM 23070)
Show SMILES CC(O)[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)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H71N11O10/c1-33(63-54(75)44(60)28-36-14-5-4-6-15-36)53(74)67-48(29-37-23-25-41(71)26-24-37)56(77)68-49(31-40-32-62-45-21-10-9-20-43(40)45)57(78)65-46(22-11-12-27-59)55(76)69-50(35(3)70)58(79)64-34(2)52(73)66-47(51(61)72)30-39-18-13-17-38-16-7-8-19-42(38)39/h4-10,13-21,23-26,32-35,44,46-50,62,70-71H,11-12,22,27-31,59-60H2,1-3H3,(H2,61,72)(H,63,75)(H,64,79)(H,65,78)(H,66,73)(H,67,74)(H,68,77)(H,69,76)/t33-,34-,35?,44+,46-,47-,48-,49+,50-/m0/s1
Reactome pathway
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GoogleScholar
PC cid
PC sid
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Similars

PubMed
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