Found 52 hits with Last Name = 'farrell' and Initial = 'am' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50000040
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50175494
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50175494
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against Tachykinin receptor 2 |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290719
(CHEMBL329450 | {3-[2-(4-{1-[2-(Furan-2-yloxy)-ethy...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCOc2ccco2)(C1)c1ccccc1 Show InChI InChI=1S/C41H46N4O7/c1-48-34-26-30(27-35(49-2)38(34)50-3)40(47)44-22-18-41(28-44,31-10-5-4-6-11-31)17-21-43-19-15-29(16-20-43)37(46)39-42-32-12-7-8-13-33(32)45(39)23-25-52-36-14-9-24-51-36/h4-14,24,26-27,29H,15-23,25,28H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290710
(2-{3-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoy...)Show SMILES COC(=O)c1ccccc1OCCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1 Show InChI InChI=1S/C46H52N4O8/c1-54-39-29-33(30-40(55-2)42(39)56-3)44(52)49-27-22-46(31-49,34-13-6-5-7-14-34)21-26-48-24-19-32(20-25-48)41(51)43-47-36-16-9-10-17-37(36)50(43)23-12-28-58-38-18-11-8-15-35(38)45(53)57-4/h5-11,13-18,29-30,32H,12,19-28,31H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290711
((3-{2-[4-(1-Furan-2-ylmethyl-1H-benzoimidazole-2-c...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccco2)(C1)c1ccccc1 Show InChI InChI=1S/C40H44N4O6/c1-47-34-24-29(25-35(48-2)37(34)49-3)39(46)43-22-18-40(27-43,30-10-5-4-6-11-30)17-21-42-19-15-28(16-20-42)36(45)38-41-32-13-7-8-14-33(32)44(38)26-31-12-9-23-50-31/h4-14,23-25,28H,15-22,26-27H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290720
(4-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoyl)-...)Show SMILES COC(=O)c1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C44H48N4O7/c1-52-37-26-33(27-38(53-2)40(37)54-3)42(50)47-25-21-44(29-47,34-10-6-5-7-11-34)20-24-46-22-18-31(19-23-46)39(49)41-45-35-12-8-9-13-36(35)48(41)28-30-14-16-32(17-15-30)43(51)55-4/h5-17,26-27,31H,18-25,28-29H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290702
(CHEMBL322194 | [3-(2-{4-[1-(2-Ethoxy-ethyl)-1H-ben...)Show SMILES CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1 Show InChI InChI=1S/C39H48N4O6/c1-5-49-24-23-43-32-14-10-9-13-31(32)40-37(43)35(44)28-15-19-41(20-16-28)21-17-39(30-11-7-6-8-12-30)18-22-42(27-39)38(45)29-25-33(46-2)36(48-4)34(26-29)47-3/h6-14,25-26,28H,5,15-24,27H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290718
(2-{3-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoy...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCCOc2ccccc2C(O)=O)(C1)c1ccccc1 Show InChI InChI=1S/C45H50N4O8/c1-54-38-28-32(29-39(55-2)41(38)56-3)43(51)48-26-21-45(30-48,33-12-5-4-6-13-33)20-25-47-23-18-31(19-24-47)40(50)42-46-35-15-8-9-16-36(35)49(42)22-11-27-57-37-17-10-7-14-34(37)44(52)53/h4-10,12-17,28-29,31H,11,18-27,30H2,1-3H3,(H,52,53) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290712
((3-Phenyl-3-{2-[4-(1-pyridin-3-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2cccnc2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-24-31(25-36(50-2)38(35)51-3)40(48)45-23-18-41(28-45,32-11-5-4-6-12-32)17-22-44-20-15-30(16-21-44)37(47)39-43-33-13-7-8-14-34(33)46(39)27-29-10-9-19-42-26-29/h4-14,19,24-26,30H,15-18,20-23,27-28H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290717
((3-Phenyl-3-{2-[4-(1-pyridin-2-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-25-30(26-36(50-2)38(35)51-3)40(48)45-24-19-41(28-45,31-11-5-4-6-12-31)18-23-44-21-16-29(17-22-44)37(47)39-43-33-14-7-8-15-34(33)46(39)27-32-13-9-10-20-42-32/h4-15,20,25-26,29H,16-19,21-24,27-28H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50175497
(CHEMBL93556 | [3-(3,4-Dimethoxy-phenyl)-3-(2-{4-[1...)Show SMILES COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C44H49FN4O7/c1-52-36-15-12-32(26-37(36)53-2)44(19-23-48(28-44)43(51)31-24-38(54-3)41(56-5)39(25-31)55-4)18-22-47-20-16-30(17-21-47)40(50)42-46-34-8-6-7-9-35(34)49(42)27-29-10-13-33(45)14-11-29/h6-15,24-26,30H,16-23,27-28H2,1-5H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290713
((3-(3,4-Dichloro-phenyl)-3-{2-[4-(1-pyridin-2-ylme...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C41H43Cl2N5O5/c1-51-35-22-28(23-36(52-2)38(35)53-3)40(50)47-21-16-41(26-47,29-11-12-31(42)32(43)24-29)15-20-46-18-13-27(14-19-46)37(49)39-45-33-9-4-5-10-34(33)48(39)25-30-8-6-7-17-44-30/h4-12,17,22-24,27H,13-16,18-21,25-26H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290706
(CHEMBL431458 | CHEMBL98079 | [3-(2-{4-[1-(4-Fluoro...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccccc1 Show InChI InChI=1S/C42H45FN4O5/c1-50-36-25-31(26-37(51-2)39(36)52-3)41(49)46-24-20-42(28-46,32-9-5-4-6-10-32)19-23-45-21-17-30(18-22-45)38(48)40-44-34-11-7-8-12-35(34)47(40)27-29-13-15-33(43)16-14-29/h4-16,25-26,30H,17-24,27-28H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290703
(4-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoyl)-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(cc2)C(O)=O)(C1)c1ccccc1 Show InChI InChI=1S/C43H46N4O7/c1-52-36-25-32(26-37(53-2)39(36)54-3)41(49)46-24-20-43(28-46,33-9-5-4-6-10-33)19-23-45-21-17-30(18-22-45)38(48)40-44-34-11-7-8-12-35(34)47(40)27-29-13-15-31(16-14-29)42(50)51/h4-16,25-26,30H,17-24,27-28H2,1-3H3,(H,50,51) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290705
((3-{2-[4-(1H-Benzoimidazole-2-carbonyl)-piperidin-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3[nH]2)(C1)c1ccccc1 Show InChI InChI=1S/C35H40N4O5/c1-42-29-21-25(22-30(43-2)32(29)44-3)34(41)39-20-16-35(23-39,26-9-5-4-6-10-26)15-19-38-17-13-24(14-18-38)31(40)33-36-27-11-7-8-12-28(27)37-33/h4-12,21-22,24H,13-20,23H2,1-3H3,(H,36,37) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290701
((3-Phenyl-3-{2-[4-(1-pyridin-4-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccncc2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-25-31(26-36(50-2)38(35)51-3)40(48)45-24-18-41(28-45,32-9-5-4-6-10-32)17-23-44-21-15-30(16-22-44)37(47)39-43-33-11-7-8-12-34(33)46(39)27-29-13-19-42-20-14-29/h4-14,19-20,25-26,30H,15-18,21-24,27-28H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290714
((3-(4-Methoxy-phenyl)-3-{2-[4-(1-pyridin-2-ylmethy...)Show SMILES COc1ccc(cc1)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C42H47N5O6/c1-50-33-14-12-31(13-15-33)42(19-24-46(28-42)41(49)30-25-36(51-2)39(53-4)37(26-30)52-3)18-23-45-21-16-29(17-22-45)38(48)40-44-34-10-5-6-11-35(34)47(40)27-32-9-7-8-20-43-32/h5-15,20,25-26,29H,16-19,21-24,27-28H2,1-4H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50175511
(CHEMBL95051 | MDL-28163 | [1-(4-Fluoro-benzyl)-1H-...)Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H30FN3O2/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-23(16-19-32)28(34)29-31-26-4-2-3-5-27(26)33(29)20-22-6-10-24(30)11-7-22/h2-13,23H,14-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290704
(CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290708
(CHEMBL94834 | [3-(2-{4-[1-(4-Fluoro-benzyl)-1H-ben...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C43H44F4N4O5/c1-54-36-24-30(25-37(55-2)39(36)56-3)41(53)50-23-19-42(27-50,31-10-12-32(13-11-31)43(45,46)47)18-22-49-20-16-29(17-21-49)38(52)40-48-34-6-4-5-7-35(34)51(40)26-28-8-14-33(44)15-9-28/h4-15,24-25,29H,16-23,26-27H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290704
(CHEMBL330430 | CHEMBL97357 | [3-(3,4-Dichloro-phen...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H43Cl2FN4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,30-10-13-32(43)33(44)24-30)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-11-31(45)12-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290709
(CHEMBL317524 | CHEMBL320002 | [3-Benzo[1,3]dioxol-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C43H45FN4O7/c1-51-37-22-30(23-38(52-2)40(37)53-3)42(50)47-21-17-43(26-47,31-10-13-35-36(24-31)55-27-54-35)16-20-46-18-14-29(15-19-46)39(49)41-45-33-6-4-5-7-34(33)48(41)25-28-8-11-32(44)12-9-28/h4-13,22-24,29H,14-21,25-27H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290707
(CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...)Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290709
(CHEMBL317524 | CHEMBL320002 | [3-Benzo[1,3]dioxol-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C43H45FN4O7/c1-51-37-22-30(23-38(52-2)40(37)53-3)42(50)47-21-17-43(26-47,31-10-13-35-36(24-31)55-27-54-35)16-20-46-18-14-29(15-19-46)39(49)41-45-33-6-4-5-7-34(33)48(41)25-28-8-11-32(44)12-9-28/h4-13,22-24,29H,14-21,25-27H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290706
(CHEMBL431458 | CHEMBL98079 | [3-(2-{4-[1-(4-Fluoro...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccccc1 Show InChI InChI=1S/C42H45FN4O5/c1-50-36-25-31(26-37(51-2)39(36)52-3)41(49)46-24-20-42(28-46,32-9-5-4-6-10-32)19-23-45-21-17-30(18-22-45)38(48)40-44-34-11-7-8-12-35(34)47(40)27-29-13-15-33(43)16-14-29/h4-16,25-26,30H,17-24,27-28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290715
((1-{2-[1-Benzoyl-3-(3,4-dimethoxy-phenyl)-pyrrolid...)Show SMILES COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C41H43FN4O4/c1-49-36-17-14-32(26-37(36)50-2)41(21-25-45(28-41)40(48)31-8-4-3-5-9-31)20-24-44-22-18-30(19-23-44)38(47)39-43-34-10-6-7-11-35(34)46(39)27-29-12-15-33(42)16-13-29/h3-17,26,30H,18-25,27-28H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290701
((3-Phenyl-3-{2-[4-(1-pyridin-4-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccncc2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-25-31(26-36(50-2)38(35)51-3)40(48)45-24-18-41(28-45,32-9-5-4-6-10-32)17-23-44-21-15-30(16-22-44)37(47)39-43-33-11-7-8-12-34(33)46(39)27-29-13-19-42-20-14-29/h4-14,19-20,25-26,30H,15-18,21-24,27-28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290711
((3-{2-[4-(1-Furan-2-ylmethyl-1H-benzoimidazole-2-c...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccco2)(C1)c1ccccc1 Show InChI InChI=1S/C40H44N4O6/c1-47-34-24-29(25-35(48-2)37(34)49-3)39(46)43-22-18-40(27-43,30-10-5-4-6-11-30)17-21-42-19-15-28(16-20-42)36(45)38-41-32-13-7-8-14-33(32)44(38)26-31-12-9-23-50-31/h4-14,23-25,28H,15-22,26-27H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290716
(CHEMBL264007 | [3-(2,4-Difluoro-phenyl)-3-(2-{4-[1...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(F)cc1F Show InChI InChI=1S/C42H43F3N4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,32-13-12-31(44)24-33(32)45)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-10-30(43)11-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50175497
(CHEMBL93556 | [3-(3,4-Dimethoxy-phenyl)-3-(2-{4-[1...)Show SMILES COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C44H49FN4O7/c1-52-36-15-12-32(26-37(36)53-2)44(19-23-48(28-44)43(51)31-24-38(54-3)41(56-5)39(25-31)55-4)18-22-47-20-16-30(17-21-47)40(50)42-46-34-8-6-7-9-35(34)49(42)27-29-10-13-33(45)14-11-29/h6-15,24-26,30H,16-23,27-28H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290717
((3-Phenyl-3-{2-[4-(1-pyridin-2-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-25-30(26-36(50-2)38(35)51-3)40(48)45-24-19-41(28-45,31-11-5-4-6-12-31)18-23-44-21-16-29(17-22-44)37(47)39-43-33-14-7-8-15-34(33)46(39)27-32-13-9-10-20-42-32/h4-15,20,25-26,29H,16-19,21-24,27-28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290702
(CHEMBL322194 | [3-(2-{4-[1-(2-Ethoxy-ethyl)-1H-ben...)Show SMILES CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1 Show InChI InChI=1S/C39H48N4O6/c1-5-49-24-23-43-32-14-10-9-13-31(32)40-37(43)35(44)28-15-19-41(20-16-28)21-17-39(30-11-7-6-8-12-30)18-22-42(27-39)38(45)29-25-33(46-2)36(48-4)34(26-29)47-3/h6-14,25-26,28H,5,15-24,27H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 381 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290712
((3-Phenyl-3-{2-[4-(1-pyridin-3-ylmethyl-1H-benzoim...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2cccnc2)(C1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-49-35-24-31(25-36(50-2)38(35)51-3)40(48)45-23-18-41(28-45,32-11-5-4-6-12-32)17-22-44-20-15-30(16-21-44)37(47)39-43-33-13-7-8-14-34(33)46(39)27-29-10-9-19-42-26-29/h4-14,19,24-26,30H,15-18,20-23,27-28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290716
(CHEMBL264007 | [3-(2,4-Difluoro-phenyl)-3-(2-{4-[1...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(F)cc1F Show InChI InChI=1S/C42H43F3N4O5/c1-52-36-22-29(23-37(53-2)39(36)54-3)41(51)48-21-17-42(26-48,32-13-12-31(44)24-33(32)45)16-20-47-18-14-28(15-19-47)38(50)40-46-34-6-4-5-7-35(34)49(40)25-27-8-10-30(43)11-9-27/h4-13,22-24,28H,14-21,25-26H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 436 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290713
((3-(3,4-Dichloro-phenyl)-3-{2-[4-(1-pyridin-2-ylme...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C41H43Cl2N5O5/c1-51-35-22-28(23-36(52-2)38(35)53-3)40(50)47-21-16-41(26-47,29-11-12-31(42)32(43)24-29)15-20-46-18-13-27(14-19-46)37(49)39-45-33-9-4-5-10-34(33)48(39)25-30-8-6-7-17-44-30/h4-12,17,22-24,27H,13-16,18-21,25-26H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290719
(CHEMBL329450 | {3-[2-(4-{1-[2-(Furan-2-yloxy)-ethy...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCOc2ccco2)(C1)c1ccccc1 Show InChI InChI=1S/C41H46N4O7/c1-48-34-26-30(27-35(49-2)38(34)50-3)40(47)44-22-18-41(28-44,31-10-5-4-6-11-31)17-21-43-19-15-29(16-20-43)37(46)39-42-32-12-7-8-13-33(32)45(39)23-25-52-36-14-9-24-51-36/h4-14,24,26-27,29H,15-23,25,28H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290708
(CHEMBL94834 | [3-(2-{4-[1-(4-Fluoro-benzyl)-1H-ben...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C43H44F4N4O5/c1-54-36-24-30(25-37(55-2)39(36)56-3)41(53)50-23-19-42(27-50,31-10-12-32(13-11-31)43(45,46)47)18-22-49-20-16-29(17-21-49)38(52)40-48-34-6-4-5-7-35(34)51(40)26-28-8-14-33(44)15-9-28/h4-15,24-25,29H,16-23,26-27H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290705
((3-{2-[4-(1H-Benzoimidazole-2-carbonyl)-piperidin-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3[nH]2)(C1)c1ccccc1 Show InChI InChI=1S/C35H40N4O5/c1-42-29-21-25(22-30(43-2)32(29)44-3)34(41)39-20-16-35(23-39,26-9-5-4-6-10-26)15-19-38-17-13-24(14-18-38)31(40)33-36-27-11-7-8-12-28(27)37-33/h4-12,21-22,24H,13-20,23H2,1-3H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290714
((3-(4-Methoxy-phenyl)-3-{2-[4-(1-pyridin-2-ylmethy...)Show SMILES COc1ccc(cc1)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C42H47N5O6/c1-50-33-14-12-31(13-15-33)42(19-24-46(28-42)41(49)30-25-36(51-2)39(53-4)37(26-30)52-3)18-23-45-21-16-29(17-22-45)38(48)40-44-34-10-5-6-11-35(34)47(40)27-32-9-7-8-20-43-32/h5-15,20,25-26,29H,16-19,21-24,27-28H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 563 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290715
((1-{2-[1-Benzoyl-3-(3,4-dimethoxy-phenyl)-pyrrolid...)Show SMILES COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C41H43FN4O4/c1-49-36-17-14-32(26-37(36)50-2)41(21-25-45(28-41)40(48)31-8-4-3-5-9-31)20-24-44-22-18-30(19-23-44)38(47)39-43-34-10-6-7-11-35(34)46(39)27-29-12-15-33(42)16-13-29/h3-17,26,30H,18-25,27-28H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 611 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290710
(2-{3-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoy...)Show SMILES COC(=O)c1ccccc1OCCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1 Show InChI InChI=1S/C46H52N4O8/c1-54-39-29-33(30-40(55-2)42(39)56-3)44(52)49-27-22-46(31-49,34-13-6-5-7-14-34)21-26-48-24-19-32(20-25-48)41(51)43-47-36-16-9-10-17-37(36)50(43)23-12-28-58-38-18-11-8-15-35(38)45(53)57-4/h5-11,13-18,29-30,32H,12,19-28,31H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 994 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290720
(4-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoyl)-...)Show SMILES COC(=O)c1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C44H48N4O7/c1-52-37-26-33(27-38(53-2)40(37)54-3)42(50)47-25-21-44(29-47,34-10-6-5-7-11-34)20-24-46-22-18-31(19-23-46)39(49)41-45-35-12-8-9-13-36(35)48(41)28-30-14-16-32(17-15-30)43(51)55-4/h5-17,26-27,31H,18-25,28-29H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50290707
(CHEMBL330367 | CHEMBL330462 | [3-(3,4-Dimethoxy-ph...)Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C47H55FN4O7/c1-6-57-41-27-34(28-42(58-7-2)44(41)59-8-3)46(54)51-26-22-47(31-51,35-15-18-39(55-4)40(29-35)56-5)21-25-50-23-19-33(20-24-50)43(53)45-49-37-11-9-10-12-38(37)52(45)30-32-13-16-36(48)17-14-32/h9-18,27-29,33H,6-8,19-26,30-31H2,1-5H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the guinea pig tachykinin NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50175511
(CHEMBL95051 | MDL-28163 | [1-(4-Fluoro-benzyl)-1H-...)Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H30FN3O2/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-23(16-19-32)28(34)29-31-26-4-2-3-5-27(26)33(29)20-22-6-10-24(30)11-7-22/h2-13,23H,14-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against Tachykinin receptor 2 |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290703
(4-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoyl)-...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(cc2)C(O)=O)(C1)c1ccccc1 Show InChI InChI=1S/C43H46N4O7/c1-52-36-25-32(26-37(53-2)39(36)54-3)41(49)46-24-20-43(28-46,33-9-5-4-6-10-33)19-23-45-21-17-30(18-22-45)38(48)40-44-34-11-7-8-12-35(34)47(40)27-29-13-15-31(16-14-29)42(50)51/h4-16,25-26,30H,17-24,27-28H2,1-3H3,(H,50,51) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50175511
(CHEMBL95051 | MDL-28163 | [1-(4-Fluoro-benzyl)-1H-...)Show SMILES COc1ccc(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H30FN3O2/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-23(16-19-32)28(34)29-31-26-4-2-3-5-27(26)33(29)20-22-6-10-24(30)11-7-22/h2-13,23H,14-20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the antagonistic activity against NK1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50290718
(2-{3-[2-(1-{2-[3-Phenyl-1-(3,4,5-trimethoxy-benzoy...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCCOc2ccccc2C(O)=O)(C1)c1ccccc1 Show InChI InChI=1S/C45H50N4O8/c1-54-38-28-32(29-39(55-2)41(38)56-3)43(51)48-26-21-45(30-48,33-12-5-4-6-13-33)20-25-47-23-18-31(19-24-47)40(50)42-46-35-15-8-9-16-36(35)49(42)22-11-27-57-37-17-10-7-14-34(37)44(52)53/h4-10,12-17,28-29,31H,11,18-27,30H2,1-3H3,(H,52,53) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 9.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonism of the human histamine H1 receptor |
Bioorg Med Chem Lett 7: 2819-2824 (1997)
Article DOI: 10.1016/S0960-894X(97)10097-X
BindingDB Entry DOI: 10.7270/Q29S1RJ0 |
More data for this
Ligand-Target Pair | |
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