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7 similar compounds to monomer 50075281

Compile data set for download or QSAR
Wt: 520.6
BDBM50071474
Wt: 520.6
BDBM50071476
Wt: 534.6
BDBM50071478
Wt: 506.6
BDBM50071480
Wt: 492.6
BDBM50071487
Wt: 515.6
BDBM50075274
Wt: 559.6
BDBM50075278

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50071474,50071476,50071478,50071480,50071487,50075274,50075278   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SSTR2


(MOUSE)
BDBM50075278
PNG
(CHEMBL147319 | methyl 6-amino-2-[2-(1H-3-indolyl)-...)
Show SMILES COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C32H41N5O4/c1-41-30(39)27(12-6-7-17-33)35-29(38)28(20-23-21-34-26-11-5-3-9-24(23)26)36-31(40)37-18-15-32(16-19-37)14-13-22-8-2-4-10-25(22)32/h2-5,8-11,21,27-28,34H,6-7,12-20,33H2,1H3,(H,35,38)(H,36,40)/t27-,28-/m1/s1
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM50075274
PNG
(1'N-[1-(5-aminopentylcarbamoyl)-2-(1H-3-indolyl)-(...)
Show SMILES CN([C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCN)C(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C31H41N5O2/c1-35(30(38)36-19-15-31(16-20-36)14-13-23-9-3-5-11-26(23)31)28(29(37)33-18-8-2-7-17-32)21-24-22-34-27-12-6-4-10-25(24)27/h3-6,9-12,22,28,34H,2,7-8,13-21,32H2,1H3,(H,33,37)/t28-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)


Bioorg Med Chem Lett 9: 491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00016-5
BindingDB Entry DOI: 10.7270/Q2FB5235
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071478
PNG
(1'N-[1-benzyl(ethyl)carbamoyl-2-(1H-3-indolyl)-(1S...)
Show SMILES CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C34H38N4O2/c1-2-37(24-25-10-4-3-5-11-25)32(39)31(22-27-23-35-30-15-9-7-13-28(27)30)36-33(40)38-20-18-34(19-21-38)17-16-26-12-6-8-14-29(26)34/h3-15,23,31,35H,2,16-22,24H2,1H3,(H,36,40)/t31-/m0/s1
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n/an/a 139n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071480
PNG
(1'N-[1-benzylcarbamoyl-2-(1H-3-indolyl)-(1S)-ethyl...)
Show SMILES O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C32H34N4O2/c37-30(34-21-23-8-2-1-3-9-23)29(20-25-22-33-28-13-7-5-11-26(25)28)35-31(38)36-18-16-32(17-19-36)15-14-24-10-4-6-12-27(24)32/h1-13,22,29,33H,14-21H2,(H,34,37)(H,35,38)/t29-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071476
PNG
(1'N-[2-(1H-3-indolyl)-1-phenethylcarbamoyl-(1S)-et...)
Show SMILES O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C33H36N4O2/c38-31(34-19-15-24-8-2-1-3-9-24)30(22-26-23-35-29-13-7-5-11-27(26)29)36-32(39)37-20-17-33(18-21-37)16-14-25-10-4-6-12-28(25)33/h1-13,23,30,35H,14-22H2,(H,34,38)(H,36,39)/t30-/m0/s1
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n/an/a 332n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071478
PNG
(1'N-[1-benzyl(ethyl)carbamoyl-2-(1H-3-indolyl)-(1S...)
Show SMILES CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C34H38N4O2/c1-2-37(24-25-10-4-3-5-11-25)32(39)31(22-27-23-35-30-15-9-7-13-28(27)30)36-33(40)38-20-18-34(19-21-38)17-16-26-12-6-8-14-29(26)34/h3-15,23,31,35H,2,16-22,24H2,1H3,(H,36,40)/t31-/m0/s1
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n/an/a 242n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071474
PNG
(1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C33H36N4O2/c1-36(23-24-9-3-2-4-10-24)31(38)30(21-26-22-34-29-14-8-6-12-27(26)29)35-32(39)37-19-17-33(18-20-37)16-15-25-11-5-7-13-28(25)33/h2-14,22,30,34H,15-21,23H2,1H3,(H,35,39)/t30-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071487
PNG
(1'N-[2-(1H-3-indolyl)-1-phenylcarbamoyl-(1S)-ethyl...)
Show SMILES O=C(Nc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C31H32N4O2/c36-29(33-24-9-2-1-3-10-24)28(20-23-21-32-27-13-7-5-11-25(23)27)34-30(37)35-18-16-31(17-19-35)15-14-22-8-4-6-12-26(22)31/h1-13,21,28,32H,14-20H2,(H,33,36)(H,34,37)/t28-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071476
PNG
(1'N-[2-(1H-3-indolyl)-1-phenethylcarbamoyl-(1S)-et...)
Show SMILES O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C33H36N4O2/c38-31(34-19-15-24-8-2-1-3-9-24)30(22-26-23-35-29-13-7-5-11-27(26)29)36-32(39)37-20-17-33(18-21-37)16-14-25-10-4-6-12-28(25)33/h1-13,23,30,35H,14-22H2,(H,34,38)(H,36,39)/t30-/m0/s1
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n/an/a 211n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071474
PNG
(1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C33H36N4O2/c1-36(23-24-9-3-2-4-10-24)31(38)30(21-26-22-34-29-14-8-6-12-27(26)29)35-32(39)37-19-17-33(18-20-37)16-15-25-11-5-7-13-28(25)33/h2-14,22,30,34H,15-21,23H2,1H3,(H,35,39)/t30-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071480
PNG
(1'N-[1-benzylcarbamoyl-2-(1H-3-indolyl)-(1S)-ethyl...)
Show SMILES O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
Show InChI InChI=1S/C32H34N4O2/c37-30(34-21-23-8-2-1-3-9-23)29(20-25-22-33-28-13-7-5-11-26(25)28)35-31(38)36-18-16-32(17-19-36)15-14-24-10-4-6-12-27(24)32/h1-13,22,29,33H,14-21H2,(H,34,37)(H,35,38)/t29-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)


Article DOI: 10.1016/s0960-894x(98)00395-3
BindingDB Entry DOI: 10.7270/Q2Z31XTN
More data for this
Ligand-Target Pair