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Compile Data Set for Download or QSAR

Found 568 hits with Last Name = 'fasching' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593676
PNG
(2'-(3-hydroxy-7,7-dimethyl-1'H,7H- spiro[furo[3,4-...)
Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2cc(O)cnc12 |t:11|
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0.0630n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (Human))
BDBM10484
PNG
(US11091471, Example RO-301 | US8846719, 301)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27)
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Similars

US Patent
0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593614
PNG
(5-hydroxy-1'-(4'-oxo-1,3-dihydro-4'H- spiro[indene...)
Show SMILES Oc1ccc2c(c1)C(=O)OC21CCN(CC1)C1=NC(=O)C2(Cc3ccccc3C2)O1 |t:19|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593606
PNG
(2'-(1'H,3H-spiro[2-benzofuran-1,4'- piperidin]-1'-...)
Show SMILES O=C1N=C(OC11Cc2ccccc2C1)N1CCC2(CC1)OCc1ccccc21 |c:2|
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0.316n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288715
PNG
(US10092551, Example 23)
Show SMILES FC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C23H20ClFN2O2S/c24-17-7-5-15(6-8-17)18(13-25)20-21(28)26-22(30-20)27-11-9-23(10-12-27)19-4-2-1-3-16(19)14-29-23/h1-8H,9-14H2/b20-18-
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0.398 -53.7n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593639
PNG
(5,6-difluoro-2'-(1'H,3H-spiro[2- benzofuran-1,4'-p...)
Show SMILES Fc1cc2CC3(Cc2cc1F)OC(=NC3=O)N1CCC2(CC1)OCc1ccccc21 |c:14|
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0.398n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288741
PNG
(US10092551, Example 49 | US10092551, Example 96)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-
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0.398 -53.7n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM513240
PNG
(6-((5-methyl-3-(6-methylpyridazin-3-yl)isoxazol-4-...)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1
PDB

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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (Human))
BDBM513334
PNG
(US11091471, Example RE-B)
Show SMILES Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288816
PNG
(US10092551, Example 124)
Show SMILES OC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H22N2O3S/c26-14-18(16-6-2-1-3-7-16)20-21(27)24-22(29-20)25-12-10-23(11-13-25)19-9-5-4-8-17(19)15-28-23/h1-9,26H,10-15H2/b20-18-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288739
PNG
(US10092551, Example 47)
Show SMILES O=C1N=C(S\C1=C1\CCCCc2ccccc12)N1CCC2(CC1)OCc1ccccc21 |c:2|
Show InChI InChI=1S/C26H26N2O2S/c29-24-23(21-11-5-2-8-18-7-1-4-10-20(18)21)31-25(27-24)28-15-13-26(14-16-28)22-12-6-3-9-19(22)17-30-26/h1,3-4,6-7,9-10,12H,2,5,8,11,13-17H2/b23-21-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288698
PNG
(US10092551, Example 6)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ncccc21)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-4-6-16(23)7-5-15)19-20(27)25-21(29-19)26-11-8-22(9-12-26)17-3-2-10-24-18(17)13-28-22/h2-7,10H,8-9,11-13H2,1H3/b19-14-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288862
PNG
(US10092551, Example 171)
Show SMILES [2H]C([2H])([2H])C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)\c1ccc(Cl)nc1 |c:7|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593674
PNG
(2'-(7,7-dimethyl-1'H,7H- spiro[furo[3,4-b]pyridine...)
Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4cccc(O)c4C3)O2)c2cccnc12 |t:11|
PDB

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0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593608
PNG
(2'-(3,3-dimethyl-1'H,3H-spiro[2- benzofuran-1,4'-p...)
Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2ccccc12 |t:11|
PDB

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0.501n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288850
PNG
(US10092551, Example 159)
Show SMILES CC(C)(C)OC(=O)NC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:12|
Show InChI InChI=1S/C28H31N3O4S/c1-27(2,3)35-26(33)29-17-21(19-9-5-4-6-10-19)23-24(32)30-25(36-23)31-15-13-28(14-16-31)22-12-8-7-11-20(22)18-34-28/h4-12H,13-18H2,1-3H3,(H,29,33)/b23-21-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288847
PNG
(US10092551, Example 156)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OC(=O)c1ccccc21)c1ccccc1 |c:4|
Show InChI InChI=1S/C23H20N2O3S/c1-15(16-7-3-2-4-8-16)19-20(26)24-22(29-19)25-13-11-23(12-14-25)18-10-6-5-9-17(18)21(27)28-23/h2-10H,11-14H2,1H3/b19-15-
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0.501 -53.1n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288693
PNG
(US10092551, Example 1 | US10092551, Example 26)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C23H21ClN2O2S/c1-15(16-6-8-18(24)9-7-16)20-21(27)25-22(29-20)26-12-10-23(11-13-26)19-5-3-2-4-17(19)14-28-23/h2-9H,10-14H2,1H3/b20-15-
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0.631 -52.5n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288824
PNG
(US10092551, Example 133)
Show SMILES CC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:5|
Show InChI InChI=1S/C23H22ClN3O2S/c1-2-17(15-7-8-19(24)25-13-15)20-21(28)26-22(30-20)27-11-9-23(10-12-27)18-6-4-3-5-16(18)14-29-23/h3-8,13H,2,9-12,14H2,1H3/b20-17-
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0.631 -52.5n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288726
PNG
(US10092551, Example 34)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc[nH]1 |c:4|
Show InChI InChI=1S/C21H21N3O2S/c1-14(17-7-4-10-22-17)18-19(25)23-20(27-18)24-11-8-21(9-12-24)16-6-3-2-5-15(16)13-26-21/h2-7,10,22H,8-9,11-13H2,1H3/b18-14-
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0.631 -52.5n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593643
PNG
(2'-(5,5-dimethyl-1'H,5H- spiro[furo[3,4-b]pyridine...)
Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2ncccc12 |t:11|
PDB

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0.631n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288708
PNG
(US10092551, Example 151 | US10092551, Example 16)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:4|
Show InChI InChI=1S/C23H22N2O2S/c1-16(17-7-3-2-4-8-17)20-21(26)24-22(28-20)25-13-11-23(12-14-25)19-10-6-5-9-18(19)15-27-23/h2-10H,11-15H2,1H3/b20-16-
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0.631 -52.5n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288710
PNG
(US10092551, Example 18)
Show SMILES FC(F)(F)C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)\c1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C23H18ClF3N2O2S/c24-16-7-5-14(6-8-16)18(23(25,26)27)19-20(30)28-21(32-19)29-11-9-22(10-12-29)17-4-2-1-3-15(17)13-31-22/h1-8H,9-13H2/b19-18+
PDB

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0.794 -51.9n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288753
PNG
(US10092551, Example 61)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1cccnc1F |c:4|
Show InChI InChI=1S/C22H20FN3O2S/c1-14(16-6-4-10-24-19(16)23)18-20(27)25-21(29-18)26-11-8-22(9-12-26)17-7-3-2-5-15(17)13-28-22/h2-7,10H,8-9,11-13H2,1H3/b18-14-
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0.794 -51.9n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593647
PNG
(2'-(2-methyl-1'H,5H-spiro[furo[3,4- b]pyridine-7,4...)
Show SMILES Cc1ccc2COC3(CCN(CC3)C3=NC(=O)C4(Cc5ccccc5C4)O3)c2n1 |t:14|
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Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593644
PNG
(2'-(7,7-dimethyl-1'H,7H- spiro[furo[3,4-b]pyridine...)
Show SMILES CC1(C)OC2(CCN(CC2)C2=NC(=O)C3(Cc4ccccc4C3)O2)c2cccnc12 |t:11|
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Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593626
PNG
(5-methyl-2'-(1'H,3H-spiro[2- benzofuran-1,4'-piper...)
Show SMILES Cc1ccc2CC3(Cc2c1)OC(=NC3=O)N1CCC2(CC1)OCc1ccccc21 |c:13|
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Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288705
PNG
(US10092551, Example 13 | US10092551, Example 24)
Show SMILES CC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H23ClN2O2S/c1-2-19(16-7-9-18(25)10-8-16)21-22(28)26-23(30-21)27-13-11-24(12-14-27)20-6-4-3-5-17(20)15-29-24/h3-10H,2,11-15H2,1H3/b21-19-
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0.794 -51.9n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593671
PNG
(1'-[4'-oxo-3,4-dihydro-1H,4'H- spiro[naphthalene-2...)
Show SMILES O=C1OC2(CCN(CC2)C2=NC(=O)[C@]3(CCc4ccccc4C3)O2)c2ccccc12 |r,t:10|
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The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288729
PNG
(US10092551, Example 37)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1cccn1C |c:4|
Show InChI InChI=1S/C22H23N3O2S/c1-15(18-8-5-11-24(18)2)19-20(26)23-21(28-19)25-12-9-22(10-13-25)17-7-4-3-6-16(17)14-27-22/h3-8,11H,9-10,12-14H2,1-2H3/b19-15-
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0.794 -51.9n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288741
PNG
(US10092551, Example 49 | US10092551, Example 96)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)nc1 |c:4|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-6-7-18(23)24-12-15)19-20(27)25-21(29-19)26-10-8-22(9-11-26)17-5-3-2-4-16(17)13-28-22/h2-7,12H,8-11,13H2,1H3/b19-14-
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0.794 -51.9n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593616
PNG
(6-hydroxy-1'-(4'-oxo-1,3-dihydro-4'H- spiro[indene...)
Show SMILES Oc1ccc2C(=O)OC3(CCN(CC3)C3=NC(=O)C4(Cc5ccccc5C4)O3)c2c1 |t:15|
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Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM513241
PNG
(N-((1S)-1-(hydroxymethyl)butyl)-6-((5-methyl-3-(6-...)
Show SMILES CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nn2)nc1 |r|
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TBA

Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM513325
PNG
(6-((5-methyl-3-(6-methylpyridazin-3-yl)isoxazol-4-...)
Show SMILES Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1
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Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288784
PNG
(US10092551, Example 92)
Show SMILES COC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:6|
Show InChI InChI=1S/C24H24N2O3S/c1-28-16-19(17-7-3-2-4-8-17)21-22(27)25-23(30-21)26-13-11-24(12-14-26)20-10-6-5-9-18(20)15-29-24/h2-10H,11-16H2,1H3/b21-19-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (Human))
BDBM133580
PNG
(US11091471, Example RO-272 | US8846719, 272)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-14-17(20(25-29-14)18-4-2-3-9-22-18)13-28-19-6-5-15(12-23-19)21(26)24-16-7-10-27-11-8-16/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,26)
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Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Integrin alpha-5


(Homo sapiens (Human))
BDBM133559
PNG
(US11091471, Example RO-251 | US8846719, 251)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)
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Assay Description
Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2W66PWZ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288781
PNG
(US10092551, Example 89)
Show SMILES Clc1ccc2CCCC\C(=C3\SC(=NC3=O)N3CCC4(CC3)OCc3ccccc43)c2c1 |c:12|
Show InChI InChI=1S/C26H25ClN2O2S/c27-19-10-9-17-5-1-3-7-20(21(17)15-19)23-24(30)28-25(32-23)29-13-11-26(12-14-29)22-8-4-2-6-18(22)16-31-26/h2,4,6,8-10,15H,1,3,5,7,11-14,16H2/b23-20-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288755
PNG
(US10092551, Example 63)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1nccs1 |c:4|
Show InChI InChI=1S/C20H19N3O2S2/c1-13(18-21-8-11-26-18)16-17(24)22-19(27-16)23-9-6-20(7-10-23)15-5-3-2-4-14(15)12-25-20/h2-5,8,11H,6-7,9-10,12H2,1H3/b16-13-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288732
PNG
(US10092551, Example 40 | US10092551, Example 57)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1F |c:4|
Show InChI InChI=1S/C23H21FN2O2S/c1-15(17-7-3-5-9-19(17)24)20-21(27)25-22(29-20)26-12-10-23(11-13-26)18-8-4-2-6-16(18)14-28-23/h2-9H,10-14H2,1H3/b20-15-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288712
PNG
(US10092551, Example 20)
Show SMILES Clc1ccc2CCC\C(=C3\SC(=NC3=O)N3CCC4(CC3)OCc3ccccc43)c2c1 |c:11|
Show InChI InChI=1S/C25H23ClN2O2S/c26-18-9-8-16-5-3-6-19(20(16)14-18)22-23(29)27-24(31-22)28-12-10-25(11-13-28)21-7-2-1-4-17(21)15-30-25/h1-2,4,7-9,14H,3,5-6,10-13,15H2/b22-19-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288696
PNG
(US10092551, Example 4)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1ccncc21)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-2-4-17(23)5-3-15)19-20(27)25-21(29-19)26-10-7-22(8-11-26)18-12-24-9-6-16(18)13-28-22/h2-6,9,12H,7-8,10-11,13H2,1H3/b19-14-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288695
PNG
(US10092551, Example 3)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OC(=O)c1ccccc21)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C23H19ClN2O3S/c1-14(15-6-8-16(24)9-7-15)19-20(27)25-22(30-19)26-12-10-23(11-13-26)18-5-3-2-4-17(18)21(28)29-23/h2-9H,10-13H2,1H3/b19-14-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288694
PNG
(US10092551, Example 2)
Show SMILES C\C(=C1\SC(=NC1=O)N1CCC2(CC1)OCc1cccnc21)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C22H20ClN3O2S/c1-14(15-4-6-17(23)7-5-15)18-20(27)25-21(29-18)26-11-8-22(9-12-26)19-16(13-28-22)3-2-10-24-19/h2-7,10H,8-9,11-13H2,1H3/b18-14-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288843
PNG
(US10092551, Example 152)
Show SMILES C\C(=C1/SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:4|
Show InChI InChI=1S/C23H22N2O2S/c1-16(17-7-3-2-4-8-17)20-21(26)24-22(28-20)25-13-11-23(12-14-25)19-10-6-5-9-18(19)15-27-23/h2-10H,11-15H2,1H3/b20-16+
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288841
PNG
(US10092551, Example 150)
Show SMILES CC\C(=C1\SC(=NC1=O)N1CCC2(CC1)OC(=O)c1ccccc21)c1ccc(Cl)nc1 |c:5|
Show InChI InChI=1S/C23H20ClN3O3S/c1-2-15(14-7-8-18(24)25-13-14)19-20(28)26-22(31-19)27-11-9-23(10-12-27)17-6-4-3-5-16(17)21(29)30-23/h3-8,13H,2,9-12H2,1H3/b19-15-
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Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288818
PNG
(US10092551, Example 127)
Show SMILES OC\C(=C1/SC(=NC1=O)N1CCC2(CC1)OCc1ccccc21)c1ccccc1 |c:5|
Show InChI InChI=1S/C23H22N2O3S/c26-14-18(16-6-2-1-3-7-16)20-21(27)24-22(29-20)25-12-10-23(11-13-25)19-9-5-4-8-17(19)15-28-23/h1-9,26H,10-15H2/b20-18+
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US Patent
1 -51.4n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM288814
PNG
(US10092551, Example 122)
Show SMILES O=C1N=C(SC1=C(c1ccc[nH]1)c1ccc[nH]1)N1CCC2(CC1)OCc1ccccc21 |c:2,(4.06,-2.69,;2.73,-1.92,;2.73,-.38,;1.26,.09,;.36,-1.15,;1.26,-2.4,;.87,-3.88,;-.62,-4.28,;-1.1,-5.75,;-2.64,-5.75,;-3.11,-4.28,;-1.87,-3.38,;1.96,-4.97,;1.48,-6.44,;2.73,-7.34,;3.97,-6.44,;3.5,-4.97,;.87,1.58,;1.96,2.67,;1.56,4.16,;.07,4.56,;-1.02,3.47,;-.62,1.98,;.97,5.8,;.07,7.05,;-1.4,6.57,;-2.73,7.34,;-4.06,6.57,;-4.06,5.03,;-2.73,4.26,;-1.4,5.03,)|
Show InChI InChI=1S/C24H22N4O2S/c29-22-21(20(18-7-3-11-25-18)19-8-4-12-26-19)31-23(27-22)28-13-9-24(10-14-28)17-6-2-1-5-16(17)15-30-24/h1-8,11-12,25-26H,9-10,13-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1 -51.4n/an/an/an/an/an/a25



Hoffmann-LaRoche Inc.

US Patent


Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


US Patent US10092551 (2018)


BindingDB Entry DOI: 10.7270/Q2348NFN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593669
PNG
(2'-(1'H,3H-spiro[2-benzofuran-1,4'- piperidin]-1'-...)
Show SMILES O=C1N=C(OC11CCc2ccccc2C1)N1CCC2(CC1)OCc1ccccc21 |c:2|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM593636
PNG
(5-chloro-2'-(1'H,3H-spiro[2- benzofuran-1,4'-piper...)
Show SMILES Clc1ccc2CC3(Cc2c1)OC(=NC3=O)N1CCC2(CC1)OCc1ccccc21 |c:13|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RR2358
More data for this
Ligand-Target Pair
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