Found 158 hits with Last Name = 'nicolas' and Initial = 'jm' 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50073179
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1 Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421552
(CHEMBL108200)Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000240
(CHEMBL435796)Show SMILES Cc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-4-2-3-5-19(15)20(30-8-6-29-7-9-30)14-31-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000252
(CHEMBL136347)Show SMILES C[C@H](OC[C@@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000241
(CHEMBL138824)Show SMILES C[C@H](OC[C@@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421567
(CHEMBL109937)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421562
(CHEMBL108889)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000238
(CHEMBL336305)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000236
(CHEMBL140080)Show SMILES CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C22H24F6N2O/c1-29-7-9-30(10-8-29)20(17-5-3-2-4-6-17)15-31-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,20H,7-10,14-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421561
(CHEMBL419742)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000255
(CHEMBL139088)Show SMILES Fc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000248
(CHEMBL139750)Show SMILES OCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H26F6N2O2/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)31-8-6-30(7-9-31)10-11-32/h1-5,12-14,21,32H,6-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000239
(CHEMBL342266)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F6N3O/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)36-12-10-35(11-13-36)17-24-8-4-5-9-34-24/h1-9,14-16,25H,10-13,17-19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000243
(CHEMBL423913)Show SMILES C[C@H](OC[C@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000221
(CHEMBL336251)Show SMILES CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421554
(CHEMBL107875)Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000233
(CHEMBL136360)Show SMILES Cc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-3-2-4-17(9-15)20(30-7-5-29-6-8-30)14-31-13-16-10-18(21(23,24)25)12-19(11-16)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000228
(CHEMBL136504)Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000242
(CHEMBL342443)Show SMILES C[C@H](OC[C@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000250
(CHEMBL337789)Show SMILES NC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421573
(CHEMBL321892)Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000254
(CHEMBL136213)Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421556
(CHEMBL109183)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000253
(CHEMBL344847)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CCCCc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H30F6N6O/c27-25(28,29)21-14-19(15-22(16-21)26(30,31)32)17-39-18-23(20-6-2-1-3-7-20)38-12-10-37(11-13-38)9-5-4-8-24-33-35-36-34-24/h1-3,6-7,14-16,23H,4-5,8-13,17-18H2,(H,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421568
(CHEMBL108422)Show SMILES COc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-20-5-3-2-4-18(20)19(30-8-6-29-7-9-30)14-32-13-15-10-16(21(23,24)25)12-17(11-15)22(26,27)28/h2-5,10-12,19,29H,6-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000224
(CHEMBL342602)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccs2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H20F6N2OS/c20-18(21,22)14-8-13(9-15(10-14)19(23,24)25)11-28-12-16(17-2-1-7-29-17)27-5-3-26-4-6-27/h1-2,7-10,16,26H,3-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000245
(CHEMBL139150)Show SMILES NC(=O)CN1CCN(CC1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H25F6N3O2/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)32-8-6-31(7-9-32)13-21(30)33/h1-5,10-12,20H,6-9,13-15H2,(H2,30,33)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000220
(CHEMBL136709)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CC#N)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F6N3O/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)32-10-8-31(7-6-30)9-11-32/h1-5,12-14,21H,7-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421558
(CHEMBL432627)Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155335
(1-{4-[4-(3-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]...)Show SMILES NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C31H35ClN4O3/c32-28-14-12-27(13-15-28)30(26-8-2-1-3-9-26)35-22-20-34(21-23-35)18-6-24-39-29-16-10-25(11-17-29)7-4-5-19-36(38)31(33)37/h1-3,8-17,30,38H,5-6,18-24H2,(H2,33,37)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000235
(CHEMBL139499)Show SMILES NC(=O)CN1CCN(CC1)[C@@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H25F6N3O2/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)32-8-6-31(7-9-32)13-21(30)33/h1-5,10-12,20H,6-9,13-15H2,(H2,30,33)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000229
(CHEMBL139531)Show SMILES OC(=O)CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H30F6N2O3/c27-25(28,29)21-14-19(15-22(16-21)26(30,31)32)17-37-18-23(20-6-2-1-3-7-20)34-12-10-33(11-13-34)9-5-4-8-24(35)36/h1-3,6-7,14-16,23H,4-5,8-13,17-18H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421553
(CHEMBL320535)Show SMILES Fc1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H22F4N2O/c21-18-11-15(10-17(12-18)20(22,23)24)13-27-14-19(16-4-2-1-3-5-16)26-8-6-25-7-9-26/h1-5,10-12,19,25H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22890
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)Show SMILES OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155341
(1-(4-{4-[3-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...)Show SMILES [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C33H35ClN4O3/c34-28-11-14-30-27(23-28)10-9-26-6-3-17-36-32(26)31(30)25-15-20-37(21-16-25)18-4-22-41-29-12-7-24(8-13-29)5-1-2-19-38(40)33(35)39/h3,6-8,11-14,17,23,40H,2,4,9-10,15-16,18-22H2,(H2,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000246
(CHEMBL139859)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CCN3CCOCC3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H33F6N3O2/c28-26(29,30)23-16-21(17-24(18-23)27(31,32)33)19-38-20-25(22-4-2-1-3-5-22)36-10-8-34(9-11-36)6-7-35-12-14-37-15-13-35/h1-5,16-18,25H,6-15,19-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000230
(CHEMBL136291)Show SMILES OC(=O)CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H24F6N2O3/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)31-8-6-30(7-9-31)13-21(32)33/h1-5,10-12,20H,6-9,13-15H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000226
(CHEMBL139382)Show SMILES OC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H28F6N2O4/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)33-8-6-32(7-9-33)10-11-36-17-23(34)35/h1-5,12-14,22H,6-11,15-17H2,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000244
(CHEMBL140302)Show SMILES FC(F)(F)c1ccc(COCC(N2CCNCC2)c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-7-6-16(18(12-17)21(25,26)27)13-30-14-19(15-4-2-1-3-5-15)29-10-8-28-9-11-29/h1-7,12,19,28H,8-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000251
(CHEMBL138716)Show SMILES Oc1n[nH]c(CN2CCN(CC2)C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)n1 Show InChI InChI=1S/C24H25F6N5O2/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-37-15-20(17-4-2-1-3-5-17)35-8-6-34(7-9-35)13-21-31-22(36)33-32-21/h1-5,10-12,20H,6-9,13-15H2,(H2,31,32,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155337
(1-(4-{4-[2-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...)Show SMILES [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C32H33ClN4O3/c33-27-10-13-29-26(22-27)9-8-25-5-3-16-35-31(25)30(29)24-14-18-36(19-15-24)20-21-40-28-11-6-23(7-12-28)4-1-2-17-37(39)32(34)38/h3,5-7,10-13,16,22,39H,2,8-9,14-15,17-21H2,(H2,34,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000225
(CHEMBL344265)Show SMILES NC(=O)N1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C22H23F6N3O2/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-33-14-19(16-4-2-1-3-5-16)30-6-8-31(9-7-30)20(29)32/h1-5,10-12,19H,6-9,13-14H2,(H2,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421569
(CHEMBL108822)Show InChI InChI=1S/C21H28N2O/c1-17-12-18(2)14-19(13-17)15-24-16-21(20-6-4-3-5-7-20)23-10-8-22-9-11-23/h3-7,12-14,21-22H,8-11,15-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155336
(1-{4-[4-(4-{4-[bis(4-fluorophenyl)methyl]piperazin...)Show SMILES NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C32H36F2N4O3/c33-28-12-8-26(9-13-28)31(27-10-14-29(34)15-11-27)37-22-20-36(21-23-37)18-3-4-24-41-30-16-6-25(7-17-30)5-1-2-19-38(40)32(35)39/h6-17,31,40H,2-4,18-24H2,(H2,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155338
(1-{4-[4-(4-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]...)Show SMILES NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C32H37ClN4O3/c33-29-15-13-28(14-16-29)31(27-9-2-1-3-10-27)36-23-21-35(22-24-36)19-6-7-25-40-30-17-11-26(12-18-30)8-4-5-20-37(39)32(34)38/h1-3,9-18,31,39H,5-7,19-25H2,(H2,34,38)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000257
(CHEMBL136187)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(C=C)c(C=C)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O/c1-3-18-5-6-20(13-19(18)4-2)23(33-9-7-32-8-10-33)16-34-15-17-11-21(24(26,27)28)14-22(12-17)25(29,30)31/h3-6,11-14,23,32H,1-2,7-10,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000231
(CHEMBL138839)Show SMILES COC(=O)CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H26F6N2O3/c1-34-22(33)14-31-7-9-32(10-8-31)21(18-5-3-2-4-6-18)16-35-15-17-11-19(23(25,26)27)13-20(12-17)24(28,29)30/h2-6,11-13,21H,7-10,14-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50155334
(1-(4-{4-[4-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,...)Show SMILES [#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1 Show InChI InChI=1S/C34H37ClN4O3/c35-29-12-15-31-28(24-29)11-10-27-7-5-18-37-33(27)32(31)26-16-21-38(22-17-26)19-3-4-23-42-30-13-8-25(9-14-30)6-1-2-20-39(41)34(36)40/h5,7-9,12-15,18,24,41H,2-4,10-11,16-17,19-23H2,(H2,36,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Research
Curated by ChEMBL
| Assay Description
Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 14: 5591-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.060
BindingDB Entry DOI: 10.7270/Q28C9VRH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421570
(CHEMBL320544)Show SMILES COc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-16(3-5-19)20(30-8-6-29-7-9-30)14-32-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000223
(CHEMBL138335)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H24F6N6O/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-36-15-20(17-4-2-1-3-5-17)35-8-6-34(7-9-35)13-21-30-32-33-31-21/h1-5,10-12,20H,6-9,13-15H2,(H,30,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
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