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429 similar compounds to monomer 50034912

Compile data set for download or QSAR
Wt: 520.5
BDBM85336
Wt: 1012.1
BDBM85193
Wt: 1040.1
BDBM85194
Wt: 1412.6
BDBM85504
Wt: 1012.1
BDBM85191
Wt: 1044.1
BDBM135769
Wt: 1223.3
BDBM50002539
Wt: 536.6
BDBM50002547
Wt: 701.8
BDBM50014137
Wt: 659.8
BDBM50014121
Wt: 644.8
BDBM50014136
Wt: 735.9
BDBM50014138
Wt: 735.9
BDBM50014141
Wt: 752.9
BDBM50007822
Wt: 782.9
BDBM50013640
Displayed 1 to 15 (of 428 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 85336,85193,85194,85504,85191,135769,50002539,50002547,50014137,50014121,50014136,50014138,50014141,50007822,50013640   
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
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85194
PNG
(Ac-RYYRWR-NH2)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C49H69N17O9/c1-27(67)61-36(10-5-21-58-48(53)54)42(71)64-39(24-29-14-18-32(69)19-15-29)45(74)65-38(23-28-12-16-31(68)17-13-28)44(73)63-37(11-6-22-59-49(55)56)43(72)66-40(25-30-26-60-34-8-3-2-7-33(30)34)46(75)62-35(41(50)70)9-4-20-57-47(51)52/h2-3,7-8,12-19,26,35-40,60,68-69H,4-6,9-11,20-25H2,1H3,(H2,50,70)(H,61,67)(H,62,75)(H,63,73)(H,64,71)(H,65,74)(H,66,72)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t35-,36-,37-,38-,39-,40-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85191
PNG
(Ac-RYYRWK-NH2 | CAS_200959-47-3)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C49H69N15O9/c1-28(65)59-37(11-6-22-56-48(52)53)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(12-7-23-57-49(54)55)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)10-4-5-21-50/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t36-,37-,38-,39-,40-,41-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85193
PNG
(Ac-RYYKWR-NH2)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C49H69N15O9/c1-28(65)59-37(12-7-23-57-49(54)55)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(10-4-5-21-50)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)11-6-22-56-48(52)53/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57)/t36-,37-,38-,39-,40-,41-/m0/s1
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1.47n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 735-41 (1997)


Article DOI: 10.1016/j.chembiol.2014.12.015
BindingDB Entry DOI: 10.7270/Q2JW8CDH
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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13 -11.2n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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13n/an/an/an/an/an/an/an/a



Palatin Technologies, Inc.

US Patent


Assay Description
Accumulation of intracellular cAMP was examined as a measure of the ability of the peptides of the present invention to elicit a functional response ...


US Patent US10179804 (2019)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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13n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85336
PNG
(CAS_132632 | NSC_132632 | Tyr-W-Mif 1)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H32N6O5/c28-20(12-16-7-9-18(34)10-8-16)27(38)33-11-3-6-23(33)26(37)32-22(25(36)31-15-24(29)35)13-17-14-30-21-5-2-1-4-19(17)21/h1-2,4-5,7-10,14,20,22-23,30,34H,3,6,11-13,15,28H2,(H2,29,35)(H,31,36)(H,32,37)
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18n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85336
PNG
(CAS_132632 | NSC_132632 | Tyr-W-Mif 1)
Show SMILES NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C27H32N6O5/c28-20(12-16-7-9-18(34)10-8-16)27(38)33-11-3-6-23(33)26(37)32-22(25(36)31-15-24(29)35)13-17-14-30-21-5-2-1-4-19(17)21/h1-2,4-5,7-10,14,20,22-23,30,34H,3,6,11-13,15,28H2,(H2,29,35)(H,31,36)(H,32,37)
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44.7n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 286: 1007-13 (1998)


Article DOI: 10.1111/cbdd.12587
BindingDB Entry DOI: 10.7270/Q2QC022N
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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49n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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688 -8.74n/an/an/an/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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688n/an/an/an/an/an/a7.5n/a



Palatin Technologies, Inc.

US Patent


Assay Description
A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, o...


US Patent US8846601 (2014)


BindingDB Entry DOI: 10.7270/Q2SF2TWK
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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955n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014121
PNG
(6-Amino-2-(6-amino-3-benzyl-2,5,9-trioxo-[1,4]diaz...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H49N7O5/c1-23(2)17-19-39-34(46)29(21-25-22-40-28-13-7-6-12-26(25)28)41-35(47)31(14-8-9-18-37)43-32(44)16-15-27(38)33(45)42-30(36(43)48)20-24-10-4-3-5-11-24/h3-7,10-13,22-23,27,29-31,40H,8-9,14-21,37-38H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)/t27-,29+,30-,31+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002539
PNG
(CHEMBL405795 | D-Pro-Gln-Gln-D-Trp-Phe-D-Trp-D-Trp...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C66H74N14O10/c67-57(81)27-25-50(74-60(84)49-24-13-29-70-49)61(85)75-51(26-28-58(68)82)62(86)78-55(33-41-36-72-47-22-11-8-19-44(41)47)65(89)77-53(31-39-16-5-2-6-17-39)63(87)79-56(34-42-37-73-48-23-12-9-20-45(42)48)66(90)80-54(32-40-35-71-46-21-10-7-18-43(40)46)64(88)76-52(59(69)83)30-38-14-3-1-4-15-38/h1-12,14-23,35-37,49-56,70-73H,13,24-34H2,(H2,67,81)(H2,68,82)(H2,69,83)(H,74,84)(H,75,85)(H,76,88)(H,77,89)(H,78,86)(H,79,87)(H,80,90)/t49-,50+,51+,52+,53+,54-,55-,56-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002547
PNG
(1N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C31H32N6O3/c32-24(15-20-17-34-25-12-6-4-10-22(20)25)30(39)37-28(16-21-18-35-26-13-7-5-11-23(21)26)31(40)36-27(29(33)38)14-19-8-2-1-3-9-19/h1-13,17-18,24,27-28,34-35H,14-16,32H2,(H2,33,38)(H,36,40)(H,37,39)/t24-,27+,28-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014121
PNG
(6-Amino-2-(6-amino-3-benzyl-2,5,9-trioxo-[1,4]diaz...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H49N7O5/c1-23(2)17-19-39-34(46)29(21-25-22-40-28-13-7-6-12-26(25)28)41-35(47)31(14-8-9-18-37)43-32(44)16-15-27(38)33(45)42-30(36(43)48)20-24-10-4-3-5-11-24/h3-7,10-13,22-23,27,29-31,40H,8-9,14-21,37-38H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)/t27-,29+,30-,31+/m1/s1
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n/an/a 710n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
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ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014141
PNG
(6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C42H53N7O5/c1-28(2)20-22-44-39(51)35(25-31-26-45-33-18-10-9-17-32(31)33)47-41(53)37(19-11-12-21-43)49-38(50)27-46-34(23-29-13-5-3-6-14-29)40(52)48-36(42(49)54)24-30-15-7-4-8-16-30/h3-10,13-18,26,28,34-37,45-46H,11-12,19-25,27,43H2,1-2H3,(H,44,51)(H,47,53)(H,48,52)/t34-,35+,36+,37+/m1/s1
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n/an/a 2.74E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014136
PNG
(6-Amino-2-(3-benzyl-2,5,9-trioxo-[1,4]diazonan-1-y...)
Show SMILES CCC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H48N6O5/c1-3-24(2)22-39-34(45)29(21-26-23-38-28-15-8-7-14-27(26)28)41-35(46)31(16-9-10-19-37)42-33(44)18-11-17-32(43)40-30(36(42)47)20-25-12-5-4-6-13-25/h4-8,12-15,23-24,29-31,38H,3,9-11,16-22,37H2,1-2H3,(H,39,45)(H,40,43)(H,41,46)/t24?,29-,30-,31-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Porcine renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014138
PNG
(6-Amino-2-(3,6-dibenzyl-7-methyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C42H53N7O5/c1-28(2)20-22-44-39(51)35(25-31-26-45-33-18-10-9-17-32(31)33)47-41(53)37(19-11-12-21-43)49-38(50)27-46-34(23-29-13-5-3-6-14-29)40(52)48-36(42(49)54)24-30-15-7-4-8-16-30/h3-10,13-18,26,28,34-37,45-46H,11-12,19-25,27,43H2,1-2H3,(H,44,51)(H,47,53)(H,48,52)/t34-,35-,36-,37-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014136
PNG
(6-Amino-2-(3-benzyl-2,5,9-trioxo-[1,4]diazonan-1-y...)
Show SMILES CCC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H48N6O5/c1-3-24(2)22-39-34(45)29(21-26-23-38-28-15-8-7-14-27(26)28)41-35(46)31(16-9-10-19-37)42-33(44)18-11-17-32(43)40-30(36(42)47)20-25-12-5-4-6-13-25/h4-8,12-15,23-24,29-31,38H,3,9-11,16-22,37H2,1-2H3,(H,39,45)(H,40,43)(H,41,46)/t24?,29-,30-,31-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014137
PNG
(6-Amino-2-(3-benzyl-8-isobutyl-2,5,9-trioxo-[1,4,7...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H55N7O5/c1-25(2)17-19-41-36(48)31(22-28-23-42-30-15-9-8-14-29(28)30)45-37(49)34(16-10-11-18-40)46-38(50)32(20-26(3)4)43-24-35(47)44-33(39(46)51)21-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-34,42-43H,10-11,16-22,24,40H2,1-4H3,(H,41,48)(H,44,47)(H,45,49)/t31-,32-,33-,34-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Porcine renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 892n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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n/an/an/an/a 25n/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
Accumulation of intracellular cAMP was examined as a measure of the ability of the peptides of the present invention to elicit a functional response ...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM135769
PNG
(US10179804, Example 154 | US8846601, 154 | US88466...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C48H69N17O10/c1-26(66)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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n/an/an/an/a 0.625n/an/a7.537



Palatin Technologies, Inc.

US Patent


Assay Description
Accumulation of intracellular cAMP was examined as a measure of the ability of the peptides of the present invention to elicit a functional response ...


US Patent US9458201 (2016)


BindingDB Entry DOI: 10.7270/Q2HT2N79
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair