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Compile Data Set for Download or QSAR

Found 7941 hits with Last Name = 'ma' and Initial = 'z'   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207116
PNG
(CHEMBL3905247 | US9550741, I-4)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22-
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US Patent
0.0290n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207116
PNG
(CHEMBL3905247 | US9550741, I-4)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22-
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US Patent
0.0290n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263372
PNG
(US9550741, I-6)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C28H32N4OS2/c33-28(26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-25(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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US Patent
0.0350n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263372
PNG
(US9550741, I-6)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1
Show InChI InChI=1S/C28H32N4OS2/c33-28(26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-25(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0350n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207143
PNG
(CHEMBL3966842 | US9550741, II-1)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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US Patent
0.0430n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207143
PNG
(CHEMBL3966842 | US9550741, II-1)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C23H30N4O2S3/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0430n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50408664
PNG
(GR-205171 | VOFOPITANT)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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Article
PubMed
0.0501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P from human recombinant NK1 receptor expressed in CHO cells


J Med Chem 52: 3238-47 (2009)


Article DOI: 10.1021/jm900023b
BindingDB Entry DOI: 10.7270/Q2BP0425
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.0560n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.0560n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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US Patent
0.0580n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.0580n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263429
PNG
(US9550741, III-11)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23-
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0.0610n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263429
PNG
(US9550741, III-11)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23-
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0.0610n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263393
PNG
(US9550741, II-3)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C23H30N4O3S2/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0620n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263393
PNG
(US9550741, II-3)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C23H30N4O3S2/c28-32(29,22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-26-13-15-27(16-14-26)23-20-4-1-2-5-21(20)31-24-23/h1-6,17-19,25H,7-16H2/t18-,19-
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0.0620n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207113
PNG
(CHEMBL3896937 | US9550741, IV-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1
Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20-
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US Patent
0.0680n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207113
PNG
(CHEMBL3896937 | US9550741, IV-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1
Show InChI InChI=1S/C25H32N6OS/c32-25(28-21-4-3-12-26-18-21)27-20-9-7-19(8-10-20)11-13-30-14-16-31(17-15-30)24-22-5-1-2-6-23(22)33-29-24/h1-6,12,18-20H,7-11,13-17H2,(H2,27,28,32)/t19-,20-
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0.0680n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263388
PNG
(US9550741, I-22)
Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22+
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0.0710n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263388
PNG
(US9550741, I-22)
Show SMILES O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H33N5OS/c34-28(25-19-21-5-1-3-7-24(21)30-25)29-22-11-9-20(10-12-22)13-14-32-15-17-33(18-16-32)27-23-6-2-4-8-26(23)35-31-27/h1-8,19-20,22,30H,9-18H2,(H,29,34)/t20-,22+
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0.0710n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263371
PNG
(US9550741, I-5)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C28H32N4O2S/c33-28(25-19-21-5-1-3-7-24(21)34-25)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-26(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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0.0780n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263371
PNG
(US9550741, I-5)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C28H32N4O2S/c33-28(25-19-21-5-1-3-7-24(21)34-25)29-22-11-9-20(10-12-22)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-26(23)35-30-27/h1-8,19-20,22H,9-18H2,(H,29,33)/t20-,22-
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US Patent
0.0780n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50417977
PNG
(CHEMBL1672044)
Show SMILES CN(C)[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F7N3O/c1-15-9-19(26)5-6-21(15)22-13-20(33(2)3)7-8-35(22)23(36)34(4)14-16-10-17(24(27,28)29)12-18(11-16)25(30,31)32/h5-6,9-12,20,22H,7-8,13-14H2,1-4H3/t20-,22+/m0/s1
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0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50417978
PNG
(CHEMBL1672047)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCC1
Show InChI InChI=1S/C26H28F7N3O/c1-16-10-20(27)4-5-22(16)23-14-21(35-7-3-8-35)6-9-36(23)24(37)34(2)15-17-11-18(25(28,29)30)13-19(12-17)26(31,32)33/h4-5,10-13,21,23H,3,6-9,14-15H2,1-2H3/t21-,23+/m0/s1
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0.0813n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263395
PNG
(US9550741, II-5)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22-
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0.0850n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263395
PNG
(US9550741, II-5)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C27H32N4O3S2/c32-36(33,26-19-21-5-1-3-7-24(21)34-26)29-22-11-9-20(10-12-22)13-14-30-15-17-31(18-16-30)27-23-6-2-4-8-25(23)35-28-27/h1-8,19-20,22,29H,9-18H2/t20-,22-
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0.0850n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263432
PNG
(US9550741, III-14)
Show SMILES COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17+
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0.0870n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263432
PNG
(US9550741, III-14)
Show SMILES COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17+
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0.0870n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263449
PNG
(US9550741, RGH-188)
Show SMILES CN(C)C(=O)NC1CCC(CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)
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0.0900n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263421
PNG
(US9550741, III-3)
Show SMILES CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C24H36N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-6,18-20H,7-17H2,1-2H3,(H,25,29)/t19-,20-
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263412
PNG
(US9550741, II-17)
Show SMILES O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C23H31N5O2S2/c29-32(30,22-6-3-12-24-22)26-19-9-7-18(8-10-19)11-13-27-14-16-28(17-15-27)23-20-4-1-2-5-21(20)31-25-23/h1-6,12,18-19,24,26H,7-11,13-17H2/t18-,19+
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263412
PNG
(US9550741, II-17)
Show SMILES O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C23H31N5O2S2/c29-32(30,22-6-3-12-24-22)26-19-9-7-18(8-10-19)11-13-27-14-16-28(17-15-27)23-20-4-1-2-5-21(20)31-25-23/h1-6,12,18-19,24,26H,7-11,13-17H2/t18-,19+
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263421
PNG
(US9550741, III-3)
Show SMILES CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C24H36N4O2S/c1-18(2)17-30-24(29)25-20-9-7-19(8-10-20)11-12-27-13-15-28(16-14-27)23-21-5-3-4-6-22(21)31-26-23/h3-6,18-20H,7-17H2,1-2H3,(H,25,29)/t19-,20-
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0.0930n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263383
PNG
(US9550741, I-17)
Show SMILES O=C(Cc1cccs1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C25H32N4OS2/c30-24(18-21-4-3-17-31-21)26-20-9-7-19(8-10-20)11-12-28-13-15-29(16-14-28)25-22-5-1-2-6-23(22)32-27-25/h1-6,17,19-20H,7-16,18H2,(H,26,30)/t19-,20-
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0.100n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263419
PNG
(US9550741, III-1)
Show SMILES COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17-
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0.100n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091350
PNG
(CHEMBL3582270)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
Show InChI InChI=1S/C30H33N9O5/c1-5-36(6-2)19-8-7-18-13-23(29(41)44-24(18)14-19)39-17-22(34-35-39)28(40)37-9-11-38(12-10-37)30-32-21-16-26(43-4)25(42-3)15-20(21)27(31)33-30/h7-8,13-17H,5-6,9-12H2,1-4H3,(H2,31,32,33)
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0.100n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263419
PNG
(US9550741, III-1)
Show SMILES COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17-
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0.100n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM263383
PNG
(US9550741, I-17)
Show SMILES O=C(Cc1cccs1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C25H32N4OS2/c30-24(18-21-4-3-17-31-21)26-20-9-7-19(8-10-20)11-12-28-13-15-29(16-14-28)25-22-5-1-2-6-23(22)32-27-25/h1-6,17,19-20H,7-16,18H2,(H,26,30)/t19-,20-
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0.100n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50417973
PNG
(CHEMBL1672053)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C29H33F7N4O2/c1-18-12-23(30)4-5-25(18)26-16-24(39-10-8-38(9-11-39)19(2)41)6-7-40(26)27(42)37(3)17-20-13-21(28(31,32)33)15-22(14-20)29(34,35)36/h4-5,12-15,24,26H,6-11,16-17H2,1-3H3/t24-,26+/m0/s1
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0.117n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50336575
PNG
(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting


J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207091
PNG
(CHEMBL3953773 | US9550741, IV-6)
Show SMILES CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C27H35N5OS/c1-30(23-7-3-2-4-8-23)27(33)28-22-13-11-21(12-14-22)15-16-31-17-19-32(20-18-31)26-24-9-5-6-10-25(24)34-29-26/h2-10,21-22H,11-20H2,1H3,(H,28,33)/t21-,22-
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0.130n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207091
PNG
(CHEMBL3953773 | US9550741, IV-6)
Show SMILES CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C27H35N5OS/c1-30(23-7-3-2-4-8-23)27(33)28-22-13-11-21(12-14-22)15-16-31-17-19-32(20-18-31)26-24-9-5-6-10-25(24)34-29-26/h2-10,21-22H,11-20H2,1H3,(H,28,33)/t21-,22-
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US Patent
0.130n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207145
PNG
(CHEMBL3946995 | US9550741, I-1)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C24H30N4O2S/c29-24(21-5-3-17-30-21)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.130n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50207145
PNG
(CHEMBL3946995 | US9550741, I-1)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
Show InChI InChI=1S/C24H30N4O2S/c29-24(21-5-3-17-30-21)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-6-22(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.130n/an/an/an/an/an/an/an/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50123599
PNG
(ETORPHINE)
Show SMILES CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.092
BindingDB Entry DOI: 10.7270/Q2NV9M2W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 1301-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.078
BindingDB Entry DOI: 10.7270/Q2MP546B
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50417972
PNG
(CHEMBL1672051)
Show SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F7N3O/c1-17-12-22(29)6-7-24(17)25-16-23(37-9-4-5-10-37)8-11-38(25)26(39)36(3)18(2)19-13-20(27(30,31)32)15-21(14-19)28(33,34)35/h6-7,12-15,18,23,25H,4-5,8-11,16H2,1-3H3/t18-,23+,25-/m1/s1
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0.141n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 1071-9 (2011)


Article DOI: 10.1021/jm1013264
BindingDB Entry DOI: 10.7270/Q2W66M1X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.150n/an/an/an/an/an/a7.7n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50227856
PNG
((3R,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C24H25N3O5/c1-15-12-17(19-4-2-3-5-21(19)25-15)13-32-18-8-6-16(7-9-18)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of pig TACE


Bioorg Med Chem Lett 18: 241-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.093
BindingDB Entry DOI: 10.7270/Q2JM2BGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50207094
PNG
(CHEMBL3976282 | US9550741, I-2)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)/t18-,19-
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US Patent
0.150n/an/an/an/an/an/a7.7n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50048413
PNG
(CHEMBL2370064)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38+,39-,40-,41+/m0/s1
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0.155n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells


J Med Chem 57: 8187-203 (2014)


Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5
More data for this
Ligand-Target Pair
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