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80 similar compounds to monomer 50170593

Wt: 907.0
BDBM50286938
Wt: 1723.0
BDBM85248
Wt: 568.6
BDBM50000734
Wt: 610.7
BDBM50000737
Wt: 624.7
BDBM50000739
Wt: 675.7
BDBM50006338
Wt: 675.7
BDBM50006275
Wt: 604.6
BDBM50453646
Wt: 610.7
BDBM50029352
Wt: 610.7
BDBM50051396
Wt: 793.8
BDBM50369132
Wt: 967.1
BDBM50032175
Wt: 650.7
BDBM50035819
Wt: 650.7
BDBM50035822
Wt: 604.6
BDBM50035823
Displayed 1 to 15 (of 80 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 59 hits for monomerid = 50286938,85248,50000734,50000737,50000739,50006338,50006275,50453646,50029352,50051396,50369132,50032175,50035819,50035822,50035823   
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
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.850n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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0.910n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.73n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.73n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.74n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.74n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.77n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.77n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.78n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.78n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
Reactome pathway
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1.94n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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1.95n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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2.69n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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2.88n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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2.88n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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4.46n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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18.2n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM85248
PNG
(CST14 | Cortistatin(1-14))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O19S2/c1-46(103)67(80(117)95-59(38-49-24-9-4-10-25-49)73(110)96-62(42-101)76(113)97-63(43-102)77(114)99-65(45-121)79(116)90-56(81(118)119)30-15-18-34-84)100-70(107)55(29-14-17-33-83)88-74(111)60(39-50-41-87-52-27-12-11-26-51(50)52)93-72(109)58(37-48-22-7-3-8-23-48)91-71(108)57(36-47-20-5-2-6-21-47)92-75(112)61(40-66(85)104)94-69(106)54(28-13-16-32-82)89-78(115)64(44-120)98-68(105)53-31-19-35-86-53/h2-12,20-27,41,46,53-65,67,86-87,101-103,120-121H,13-19,28-40,42-45,82-84H2,1H3,(H2,85,104)(H,88,111)(H,89,115)(H,90,116)(H,91,108)(H,92,112)(H,93,109)(H,94,106)(H,95,117)(H,96,110)(H,97,113)(H,98,105)(H,99,114)(H,100,107)(H,118,119)/t46-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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18.2n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 357: 483-9 (1998)

More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000734
PNG
(CHEMBL308208 | [14-(1H-Indol-3-ylmethyl)-5-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000739
PNG
(CHEMBL307324 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50000737
PNG
(CHEMBL303185 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin A receptor of Porcine aortic smooth muscle membranes


Citation and Details
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50029352
PNG
(CHEMBL336033 | [(5S,8S,11R,14S,16aR)-8-(1H-Indol-3...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Homo sapiens (human))
BDBM50369132
PNG
(CHEMBL2369603)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C42H47N7O9/c1-24(50)36-41(57)47-33(20-26-13-6-3-7-14-26)42(58)49-18-10-17-34(49)40(56)46-32(22-35(51)52)38(54)45-31(21-27-23-43-29-16-9-8-15-28(27)29)37(53)44-30(39(55)48-36)19-25-11-4-2-5-12-25/h2-9,11-16,23-24,30-34,36,43,50H,10,17-22H2,1H3,(H,44,53)(H,45,54)(H,46,56)(H,47,57)(H,48,55)(H,51,52)/t24-,30+,31-,32+,33+,34+,36+/m1/s1
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MMDB

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n/an/a 1.39E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Tachykinin receptor 1


J Med Chem 39: 2441-8 (1996)

More data for this
Ligand-Target Pair
Endothelin receptor ET-B


(Sus scrofa)
BDBM50051396
PNG
(CHEMBL303185 | [(R)-8-(1H-Indol-3-ylmethyl)-11-iso...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin B receptor in porcine cerebellum membranes


J Med Chem 39: 2313-30 (1996)

More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50051396
PNG
(CHEMBL303185 | [(R)-8-(1H-Indol-3-ylmethyl)-11-iso...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.


J Med Chem 39: 2313-30 (1996)

More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000739
PNG
(CHEMBL307324 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000737
PNG
(CHEMBL303185 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50000734
PNG
(CHEMBL308208 | [14-(1H-Indol-3-ylmethyl)-5-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006275
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-ind...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H37N9O9S/c29-28(30)31-7-3-6-17-24(42)33-11-21(38)34-19(9-23(40)41)26(44)37-20(27(45)46)12-47-13-22(39)35-18(25(43)36-17)8-14-10-32-16-5-2-1-4-15(14)16/h1-2,4-5,10,17-20,32H,3,6-9,11-13H2,(H,33,42)(H,34,38)(H,35,39)(H,36,43)(H,37,44)(H,40,41)(H,45,46)(H4,29,30,31)/t17-,18-,19-,20-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006338
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-ind...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H37N9O9S/c29-28(30)31-7-3-6-17-24(42)33-11-21(38)34-19(9-23(40)41)26(44)37-20(27(45)46)12-47-13-22(39)35-18(25(43)36-17)8-14-10-32-16-5-2-1-4-15(14)16/h1-2,4-5,10,17-20,32H,3,6-9,11-13H2,(H,33,42)(H,34,38)(H,35,39)(H,36,43)(H,37,44)(H,40,41)(H,45,46)(H4,29,30,31)/t17-,18+,19-,20-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006338
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-ind...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H37N9O9S/c29-28(30)31-7-3-6-17-24(42)33-11-21(38)34-19(9-23(40)41)26(44)37-20(27(45)46)12-47-13-22(39)35-18(25(43)36-17)8-14-10-32-16-5-2-1-4-15(14)16/h1-2,4-5,10,17-20,32H,3,6-9,11-13H2,(H,33,42)(H,34,38)(H,35,39)(H,36,43)(H,37,44)(H,40,41)(H,45,46)(H4,29,30,31)/t17-,18+,19-,20-/m0/s1
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n/an/a 4.78E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50006275
PNG
(6-Carboxymethyl-12-(3-guanidino-propyl)-15-(1H-ind...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C28H37N9O9S/c29-28(30)31-7-3-6-17-24(42)33-11-21(38)34-19(9-23(40)41)26(44)37-20(27(45)46)12-47-13-22(39)35-18(25(43)36-17)8-14-10-32-16-5-2-1-4-15(14)16/h1-2,4-5,10,17-20,32H,3,6-9,11-13H2,(H,33,42)(H,34,38)(H,35,39)(H,36,43)(H,37,44)(H,40,41)(H,45,46)(H4,29,30,31)/t17-,18-,19-,20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


Citation and Details
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50029352
PNG
(CHEMBL336033 | [(5S,8S,11R,14S,16aR)-8-(1H-Indol-3...)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method


Bioorg Med Chem 23: 657-67 (2015)

More data for this
Ligand-Target Pair
EDNRA


()
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50035822
PNG
(Ac-Trp-L-3-MPc(Me)-Asp-Phe-NH2 | CHEMBL37983)
Show SMILES CS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26-,28+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]-BH-CCK-8 from rat pancreatic acini


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50035823
PNG
(Ac-Trp-D-Pro-Asp-Phe-NH2 | Ac-Trp-Pro-Asp-Phe-NH2 ...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H36N6O7/c1-18(38)34-25(15-20-17-33-22-11-6-5-10-21(20)22)31(44)37-13-7-12-26(37)30(43)36-24(16-27(39)40)29(42)35-23(28(32)41)14-19-8-3-2-4-9-19/h2-6,8-11,17,23-26,33H,7,12-16H2,1H3,(H2,32,41)(H,34,38)(H,35,42)(H,36,43)(H,39,40)/t23-,24-,25-,26-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]-BH-CCK-8 from rat pancreatic acini


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More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50035819
PNG
(Ac-Trp-D-3-MPt(Me)-Asp-Phe-NH2 | CHEMBL37786)
Show SMILES CS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26-,28-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50035823
PNG
(Ac-Trp-D-Pro-Asp-Phe-NH2 | Ac-Trp-Pro-Asp-Phe-NH2 ...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H36N6O7/c1-18(38)34-25(15-20-17-33-22-11-6-5-10-21(20)22)31(44)37-13-7-12-26(37)30(43)36-24(16-27(39)40)29(42)35-23(28(32)41)14-19-8-3-2-4-9-19/h2-6,8-11,17,23-26,33H,7,12-16H2,1H3,(H2,32,41)(H,34,38)(H,35,42)(H,36,43)(H,39,40)/t23-,24-,25-,26-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (human))
BDBM50035822
PNG
(Ac-Trp-L-3-MPc(Me)-Asp-Phe-NH2 | CHEMBL37983)
Show SMILES CS[C@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26-,28+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50035819
PNG
(Ac-Trp-D-3-MPt(Me)-Asp-Phe-NH2 | CHEMBL37786)
Show SMILES CS[C@H]1CCN([C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26-,28-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]-BH-CCK-8 from rat pancreatic acini


Citation and Details
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


Citation and Details
More data for this
Ligand-Target Pair
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