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Compile Data Set for Download or QSAR

Found 331 hits with Last Name = 'che' and Initial = 'kh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370582
PNG
(CHEMBL1791306)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42-,43-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59-,62+,63+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
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Article
PubMed
>0.0700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370578
PNG
(CHEMBL1791304)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
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KEGG
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PubMed
1n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370577
PNG
(CHEMBL1791312)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)53(31-45-34-79-26-27-80-45)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-67(105)52(30-44-33-81-47-21-11-10-20-46(44)47)88-66(104)51(29-43-18-8-5-9-19-43)86-65(103)50(28-42-16-6-4-7-17-42)87-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51+,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
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UniChem
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1n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370582
PNG
(CHEMBL1791306)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42-,43-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59-,62+,63+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem
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3.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217050
PNG
(CHEMBL322885)
Show SMILES CS(=O)(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
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5.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370580
PNG
(CHEMBL1791307)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)88-60(97)37(2)78-69(106)56(38(3)91)89-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)84-64(101)48(28-41-19-9-6-10-20-41)82-63(100)47(27-40-17-7-5-8-18-40)83-66(103)50(30-54(74)93)85-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,106)(H,79,94)(H,80,102)(H,81,105)(H,82,100)(H,83,103)(H,84,101)(H,85,98)(H,86,107)(H,87,104)(H,88,97)(H,89,99)/t36-,37-,38-,39-,45-,46+,47-,48+,49-,50+,51-,52-,53-,56+,57+/m0/s1
KEGG

UniProtKB/SwissProt

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6.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370578
PNG
(CHEMBL1791304)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
KEGG

UniProtKB/SwissProt

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7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2 (n=6)


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217049
PNG
(CHEMBL317238)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)C1C(CN2C(=O)CN2CCOCC2)C(=O)N(C1=O)c1ccccc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
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UniChem

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PubMed
8.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370583
PNG
(CHEMBL1791311)
Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N
Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-64(101)49(29-42-31-76-44-22-12-11-21-43(42)44)82-60(97)37(2)78-63(100)47(27-40-17-7-5-8-18-40)83-65(102)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,101)(H,81,105)(H,82,97)(H,83,102)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37+,38?,39-,45-,46+,47-,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1
KEGG

UniProtKB/SwissProt

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20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370581
PNG
(CHEMBL1791310)
Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N
Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)83-64(101)47(27-40-17-7-5-8-18-40)82-60(97)37(2)78-63(100)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,102)(H,81,105)(H,82,97)(H,83,101)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37-,38?,39-,45-,46+,47+,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
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PubMed
20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217090
PNG
(CHEMBL321098)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem
PubMed
30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217053
PNG
(CHEMBL102917)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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31n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217087
PNG
(CHEMBL319653)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PubMed
39n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220512
PNG
(CHEMBL84161)
Show SMILES Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C3=O)c1
PDB
MMDB

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46n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370578
PNG
(CHEMBL1791304)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220507
PNG
(CHEMBL311946)
Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(CC3)S(=O)(=O)CCc3cccc4ccccc34)C2=O)cc(c1)C(F)(F)F
PDB
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74n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217091
PNG
(CHEMBL322453)
PDB
MMDB

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76n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370578
PNG
(CHEMBL1791304)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
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77n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4 (n=5)


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370581
PNG
(CHEMBL1791310)
Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N
Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)83-64(101)47(27-40-17-7-5-8-18-40)82-60(97)37(2)78-63(100)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,102)(H,81,105)(H,82,97)(H,83,101)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37-,38?,39-,45-,46+,47+,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220517
PNG
(CHEMBL310521)
Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(Cc4cccc(c4)C#N)CC3)C2=O)cc(c1)C(F)(F)F
PDB
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107n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370577
PNG
(CHEMBL1791312)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)53(31-45-34-79-26-27-80-45)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-67(105)52(30-44-33-81-47-21-11-10-20-46(44)47)88-66(104)51(29-43-18-8-5-9-19-43)86-65(103)50(28-42-16-6-4-7-17-42)87-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51+,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1
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124n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220508
PNG
(CHEMBL313590)
Show SMILES CSc1ccc(cc1)N1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
PDB
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132n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220509
PNG
(CHEMBL313297)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1cccc(c1)-c1ccccc1)C2=O
PDB
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138n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220505
PNG
(CHEMBL84761)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc3OCOc3c1)C2=O
PDB
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245n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217094
PNG
(CHEMBL318093)
PDB
MMDB

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263n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217092
PNG
(CHEMBL102932)
PDB
MMDB

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302n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220516
PNG
(CHEMBL420787)
Show SMILES Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(C3=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1
PDB
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324n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220511
PNG
(CHEMBL314499)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)NC2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O
PDB
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339n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220510
PNG
(CHEMBL84873)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O
PDB
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457n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217052
PNG
(CHEMBL106273)
Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
PDB
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501n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217089
PNG
(CHEMBL317209)
Show SMILES CN1C(=O)C2CN(Cc3cccs3)C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O
PDB
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513n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220518
PNG
(CHEMBL431974)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O
PDB
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575n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220513
PNG
(CHEMBL82065)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)C1=O
PDB
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646n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370579
PNG
(CHEMBL1791305)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cnccn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-67(105)53(31-45-34-79-26-27-80-45)88-65(103)50(28-42-16-6-4-7-17-42)86-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57-,60+,61+/m0/s1
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700n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 4


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217093
PNG
(CHEMBL413383)
PDB
MMDB

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794n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50370579
PNG
(CHEMBL1791305)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cnccn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O
Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-67(105)53(31-45-34-79-26-27-80-45)88-65(103)50(28-42-16-6-4-7-17-42)86-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57-,60+,61+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human somatostatin receptor type 2


J Med Chem 48: 4025-30 (2005)


Article DOI: 10.1021/jm058184l
BindingDB Entry DOI: 10.7270/Q2736RP5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217095
PNG
(CHEMBL105055)
Show SMILES CC(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1
PDB
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1.07E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220514
PNG
(CHEMBL82278)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O
PDB
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1.48E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220506
PNG
(CHEMBL86053)
Show SMILES COc1ccc(cc1OC)N1CN(CC(=O)N2CCC3(CC2)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C)C3=O)CC1=O
PDB
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1.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
PDB

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1.97E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220515
PNG
(CHEMBL82274)
Show SMILES CCCCCCCCN1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
PDB
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2.04E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217051
PNG
(CHEMBL432007)
Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)COCc4ccccc4)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
PDB
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2.29E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217086
PNG
(CHEMBL102356)
PDB
MMDB

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2.34E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50220519
PNG
(CHEMBL82552)
Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)CN2CCC(Cc3ccccc3)CC2)C1=O
PDB
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3.72E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2519-22 (2002)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50217088
PNG
(CHEMBL102332)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC2C(C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)C11CCNCC1
PDB
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4.27E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3073-6 (2002)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230292
PNG
(CHEMBL139537)
Show SMILES COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C
PDB

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n/an/a 0n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230314
PNG
(CHEMBL342046)
Show SMILES [O-][S+](Cc1ncccc1OC(F)F)c1nc2cscc2[nH]1
PDB

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n/an/a 0n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230341
PNG
(CHEMBL334908)
Show SMILES [O-][S+](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1
PDB

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n/an/a 0n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230337
PNG
(CHEMBL343109)
Show SMILES [O-][S+](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1
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n/an/a 0n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
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