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12 similar compounds to monomer 50009237

Compile data set for download or QSAR
Wt: 424.5
BDBM50002462
Wt: 495.6
BDBM50009223
Wt: 454.5
BDBM50009225
Wt: 438.5
BDBM50009226
Wt: 510.6
BDBM50009227
Wt: 482.5
BDBM50009229
Wt: 493.4
BDBM50009231
Wt: 453.5
BDBM50009232
Wt: 434.5
BDBM50009233
Wt: 496.6
BDBM50009234
Wt: 481.6
BDBM50009236
Wt: 409.5
BDBM50029859

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50002462,50009223,50009225,50009226,50009227,50009229,50009231,50009232,50009233,50009234,50009236,50029859   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/a 510n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of Tachykinin receptor 1 of rat forebrain tissue


J Med Chem 35: 1273-9 (1992)


Article DOI: 10.1021/jm00085a015
BindingDB Entry DOI: 10.7270/Q2222SQM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009236
PNG
(1-(3-Dimethylamino-propyl)-3-ethyl-2-[3-(1,3,3-tri...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCN(C)C)c2nc3ccccc3nc12
Show InChI InChI=1S/C30H37N6/c1-7-35-27(19-12-18-26-30(2,3)22-14-8-11-17-25(22)34(26)6)36(21-13-20-33(4)5)29-28(35)31-23-15-9-10-16-24(23)32-29/h8-12,14-19H,7,13,20-21H2,1-6H3/q+1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/an/a 1.5n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 10 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/an/a 0.180n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 3 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50029859
PNG
(1-Ethyl-2-{(E)-3-[1-ethyl-3,3-dimethyl-1,3-dihydro...)
Show SMILES CCN1\C(=C\C=C\c2nc3nc4ccccc4nc3n2CC)C(C)(C)c2ccccc12
Show InChI InChI=1S/C26H27N5/c1-5-30-21-15-10-7-12-18(21)26(3,4)22(30)16-11-17-23-29-24-25(31(23)6-2)28-20-14-9-8-13-19(20)27-24/h7-17H,5-6H2,1-4H3/b17-11+,22-16+
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n/an/a 7.23E+3n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SP binding in rat brain membranes


J Med Chem 38: 4793-805 (1996)


Article DOI: 10.1021/jm00024a007
BindingDB Entry DOI: 10.7270/Q2PG1QRK
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009223
PNG
(2-[3-(1-Dimethylcarbamoylmethyl-3,3-dimethyl-1,3-d...)
Show SMILES CCn1c(\C=C\C=C2\N(CC(=O)N(C)C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C30H35N6O/c1-7-34-26(35(8-2)29-28(34)31-22-15-10-11-16-23(22)32-29)19-13-18-25-30(3,4)21-14-9-12-17-24(21)36(25)20-27(37)33(5)6/h9-19H,7-8,20H2,1-6H3/q+1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/a 510n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009225
PNG
(3-Ethyl-1-(3-hydroxy-propyl)-2-[3-(1,3,3-trimethyl...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCO)c2nc3ccccc3nc12
Show InChI InChI=1S/C28H32N5O/c1-5-32-25(17-10-16-24-28(2,3)20-12-6-9-15-23(20)31(24)4)33(18-11-19-34)27-26(32)29-21-13-7-8-14-22(21)30-27/h6-10,12-17,34H,5,11,18-19H2,1-4H3/q+1
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n/an/a 350n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009226
PNG
(1,3-Diethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro...)
Show SMILES CCN1\C(=C\C=C\c2n(CC)c3nc4ccccc4nc3[n+]2CC)C(C)(C)c2ccccc12
Show InChI InChI=1S/C28H32N5/c1-6-31-23-17-12-9-14-20(23)28(4,5)24(31)18-13-19-25-32(7-2)26-27(33(25)8-3)30-22-16-11-10-15-21(22)29-26/h9-19H,6-8H2,1-5H3/q+1
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n/an/a 390n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity of compound was evaluated towards tachykinin receptor 2 by using radioligand ([125I]-NKA in rat duodenum


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009227
PNG
(1-(3-Ethoxycarbonyl-propyl)-3-ethyl-2-[3-(1,3,3-tr...)
Show SMILES CCOC(=O)CCC[n+]1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)n(CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C31H36N5O2/c1-6-35-27(19-12-18-26-31(3,4)22-14-8-11-17-25(22)34(26)5)36(21-13-20-28(37)38-7-2)30-29(35)32-23-15-9-10-16-24(23)33-30/h8-12,14-19H,6-7,13,20-21H2,1-5H3/q+1
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n/an/a 850n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009229
PNG
(1-(3-Carboxy-propyl)-3-ethyl-2-[3-(1,3,3-trimethyl...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCC(O)=O)c2nc3ccccc3nc12
Show InChI InChI=1S/C29H31N5O2/c1-5-33-25(17-10-16-24-29(2,3)20-12-6-9-15-23(20)32(24)4)34(19-11-18-26(35)36)28-27(33)30-21-13-7-8-14-22(21)31-28/h6-10,12-17H,5,11,18-19H2,1-4H3/p+1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009231
PNG
(6,7-Dichloro-1,3-diethyl-2-[3-(1,3,3-trimethyl-1,3...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3cc(Cl)c(Cl)cc3nc12
Show InChI InChI=1S/C27H28Cl2N5/c1-6-33-24(14-10-13-23-27(3,4)17-11-8-9-12-22(17)32(23)5)34(7-2)26-25(33)30-20-15-18(28)19(29)16-21(20)31-26/h8-16H,6-7H2,1-5H3/q+1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009233
PNG
(1,3-Diethyl-2-[3-(1-methyl-2a,5-dihydro-1H-benzo[c...)
Show SMILES CCn1c(\C=C\C=C2/C3C=CCc4cccc(N2C)c34)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C28H28N5/c1-4-32-25(33(5-2)28-27(32)29-21-14-6-7-15-22(21)30-28)18-10-16-23-20-13-8-11-19-12-9-17-24(26(19)20)31(23)3/h6-10,12-18,20H,4-5,11H2,1-3H3/q+1
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n/an/a 850n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009232
PNG
(1-Carbamoylmethyl-3-ethyl-2-[3-(1,3,3-trimethyl-1,...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CC(N)=O)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H28N6O/c1-5-32-24(16-10-15-22-27(2,3)18-11-6-9-14-21(18)31(22)4)33(17-23(28)34)26-25(32)29-19-12-7-8-13-20(19)30-26/h6-16H,5,17H2,1-4H3,(H-,28,34)/p+1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50009234
PNG
(1-(3-Acetoxy-propyl)-3-ethyl-2-[3-(1,3,3-trimethyl...)
Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCOC(C)=O)c2nc3ccccc3nc12
Show InChI InChI=1S/C30H34N5O2/c1-6-34-27(18-11-17-26-30(3,4)22-13-7-10-16-25(22)33(26)5)35(19-12-20-37-21(2)36)29-28(34)31-23-14-8-9-15-24(23)32-29/h7-11,13-18H,6,12,19-20H2,1-5H3/q+1
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n/an/a 410n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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Article
PubMed
n/an/an/a 0.970n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 1 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair