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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'natsugari' and Initial = 'h'   
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))
BDBM50239342
PNG
(CHEMBL4075127)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1
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1n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50052910
PNG
(CHEMBL118271 | N-[4-(5-Hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)
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1.60n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239349
PNG
(CHEMBL4104877)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239344
PNG
(CHEMBL4094707)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2c(C)cccc12 |r,@@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239346
PNG
(CHEMBL4064556)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12 |r,@@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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4.40n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239347
PNG
(CHEMBL4086079)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2cccc(C)c12 |r,@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239349
PNG
(CHEMBL4104877)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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5.90n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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5.90n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239348
PNG
(CHEMBL4102459)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cccc(C)c12
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)
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6.30n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239343
PNG
(CHEMBL4076436)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2c(C)cccc12
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)
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6.80n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50052910
PNG
(CHEMBL118271 | N-[4-(5-Hydroxy-2,3,4,5-tetrahydro-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)
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7.60n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239342
PNG
(CHEMBL4075127)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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19n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079268
PNG
(CHEMBL3416766)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-29-22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)
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21n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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37n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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37n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239344
PNG
(CHEMBL4094707)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2c(C)cccc12 |r,@@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1
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46n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079261
PNG
(CHEMBL3416768)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2c(C)cccc12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-23-18(2)8-5-10-22(23)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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48n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239347
PNG
(CHEMBL4086079)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2cccc(C)c12 |r,@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m0/s1
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54n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079268
PNG
(CHEMBL3416766)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2ccccc12
Show InChI InChI=1S/C24H22N2O2S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-29-22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)
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68n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50239345
PNG
(CHEMBL4078185)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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78n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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98n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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130n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079266
PNG
(CHEMBL3416774)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12
Show InChI InChI=1S/C26H27N3O2/c1-18-8-4-5-10-22(18)25(30)27-21-14-12-20(13-15-21)26(31)29-17-7-16-28(3)23-11-6-9-19(2)24(23)29/h4-6,8-15H,7,16-17H2,1-3H3,(H,27,30)
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130n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239346
PNG
(CHEMBL4064556)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12 |r,@@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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140n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239343
PNG
(CHEMBL4076436)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2c(C)cccc12
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)
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160n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239348
PNG
(CHEMBL4102459)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cccc(C)c12
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)
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170n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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184n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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360n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079269
PNG
(CHEMBL3416767)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-22-10-5-8-18(2)23(22)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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360n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079263
PNG
(CHEMBL3416770)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S@@+]([O-])c2ccccc12 |r|
Show InChI InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)/t30-/m1/s1
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550n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079265
PNG
(CHEMBL3416773)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S@@+]([O-])c2c(C)cccc12 |r|
Show InChI InChI=1S/C25H24N2O3S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-31(30)23-18(2)8-5-10-22(23)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)/t31-/m1/s1
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660n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079263
PNG
(CHEMBL3416770)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S@@+]([O-])c2ccccc12 |r|
Show InChI InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)/t30-/m1/s1
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820n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079263
PNG
(CHEMBL3416770)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S@@+]([O-])c2ccccc12 |r|
Show InChI InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)/t30-/m1/s1
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820n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079262
PNG
(CHEMBL3416769)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S+]([O-])c2ccccc12
Show InChI InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)
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870n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079264
PNG
(CHEMBL3416772)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S+]([O-])c2c(C)cccc12
Show InChI InChI=1S/C25H24N2O3S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-31(30)23-18(2)8-5-10-22(23)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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870n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50079261
PNG
(CHEMBL3416768)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2c(C)cccc12
Show InChI InChI=1S/C25H24N2O2S/c1-17-7-3-4-9-21(17)24(28)26-20-13-11-19(12-14-20)25(29)27-15-6-16-30-23-18(2)8-5-10-22(23)27/h3-5,7-14H,6,15-16H2,1-2H3,(H,26,28)
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880n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50079262
PNG
(CHEMBL3416769)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S+]([O-])c2ccccc12
Show InChI InChI=1S/C24H22N2O3S/c1-17-7-2-3-8-20(17)23(27)25-19-13-11-18(12-14-19)24(28)26-15-6-16-30(29)22-10-5-4-9-21(22)26/h2-5,7-14H,6,15-16H2,1H3,(H,25,27)
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910n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes


J Med Chem 58: 3268-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00289
BindingDB Entry DOI: 10.7270/Q21R6S7F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239345
PNG
(CHEMBL4078185)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18|
Show InChI InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)24-18(2)8-5-10-22(24)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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1.79E+3n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50030575
PNG
(5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C26H18F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)19-4-3-9-34-21(19)23(37)36(22)2/h3-12H,13H2,1-2H3
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n/an/a 0.210n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).


J Med Chem 41: 4232-9 (1998)


Article DOI: 10.1021/jm980042m
BindingDB Entry DOI: 10.7270/Q280538T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)


J Med Chem 42: 3982-93 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2VC8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030573
PNG
(7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyri...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3
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n/an/a 0.25n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50081415
PNG
((S)-7-(3,5-Bis-trifluoromethyl-benzyl)-9-methyl-5-...)
Show SMILES C[C@H]1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)c2c(-c3ccc(C)cc3)c3cccnc3c(=O)n2C1
Show InChI InChI=1S/C29H23F6N3O2/c1-16-5-7-19(8-6-16)23-22-4-3-9-36-24(22)26(39)38-14-17(2)13-37(27(40)25(23)38)15-18-10-20(28(30,31)32)12-21(11-18)29(33,34)35/h3-12,17H,13-15H2,1-2H3/t17-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)


J Med Chem 42: 3982-93 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2VC8
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells


J Med Chem 38: 3106-20 (1995)


BindingDB Entry DOI: 10.7270/Q2ZS2VJH
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50030589
PNG
(N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C
Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]-BH-SP binding in human IM-9 cells (lymphoblast cells)


J Med Chem 42: 3982-93 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2VC8
More data for this
Ligand-Target Pair
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