Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50029174 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281976
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)| Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281980
((2S,3S)-2-Benzhydryl-3-(3-methyl-benzyloxy)-1-aza-...)Show SMILES Cc1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:15.17,8.7,(1.76,5.78,;1.77,4.24,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,)| Show InChI InChI=1S/C28H31NO/c1-21-9-8-10-22(19-21)20-30-28-25-15-17-29(18-16-25)27(28)26(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-14,19,25-28H,15-18,20H2,1H3/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281979
((2S,3S)-2-Benzhydryl-3-(2,5-dimethyl-benzyloxy)-1-...)Show SMILES Cc1ccc(C)c(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.44,1.17,;3.11,1.93,;3.11,3.47,;1.77,4.24,;.45,3.47,;-.89,4.25,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;-.9,-4.98,;.43,-5.75,;.43,-7.29,;-.9,-8.06,;-2.24,-7.29,;-2.24,-5.75,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;1.78,1.16,)| Show InChI InChI=1S/C29H33NO/c1-21-13-14-22(2)26(19-21)20-31-29-25-15-17-30(18-16-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19,25,27-29H,15-18,20H2,1-2H3/t28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50002660
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(8.36,4.94,;8.17,3.4,;6.82,2.63,;5.49,3.41,;6.26,2.08,;5.16,1,;5.49,.33,;4.18,1.09,;4.18,2.63,;6.82,1.09,;8.17,.32,;9.5,1.09,;9.5,2.63,;10.83,3.4,;12.16,2.63,;12.16,1.09,;10.83,.32,;8.15,-1.22,;6.82,-1.98,;6.82,-3.52,;8.15,-4.29,;9.5,-3.52,;9.48,-1.98,;9.78,5.52,;9.99,7.04,;11.41,7.61,;12.63,6.69,;12.44,5.17,;11.01,4.57,)| Show InChI InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281982
((2S,3S)-2-Benzhydryl-3-(2-methyl-benzyloxy)-1-aza-...)Show SMILES Cc1ccccc1CO[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:16.19,9.9,(-.89,4.25,;.45,3.47,;1.77,4.24,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,)| Show InChI InChI=1S/C28H31NO/c1-21-10-8-9-15-25(21)20-30-28-24-16-18-29(19-17-24)27(28)26(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26-28H,16-20H2,1H3/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281977
((2S,3S)-2-Benzhydryl-3-(3,4-dimethyl-benzyloxy)-1-...)Show SMILES Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1C |wD:14.16,7.6,(4.44,4.25,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.89,-1.13,;-4.89,-2.67,;-3.56,-3.44,;-3.01,-2.46,;-4.34,-1.69,;-2.23,-2.67,;-.9,-3.44,;-.9,-4.98,;.43,-5.75,;.43,-7.29,;-.9,-8.06,;-2.24,-7.29,;-2.24,-5.75,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;.45,3.47,;1.77,4.24,;1.76,5.78,)| Show InChI InChI=1S/C29H33NO/c1-21-13-14-23(19-22(21)2)20-31-29-26-15-17-30(18-16-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,19,26-29H,15-18,20H2,1-2H3/t28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281981
((2S,3S)-2-Benzhydryl-3-(4-methyl-benzyloxy)-1-aza-...)Show SMILES Cc1ccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 |wD:14.16,7.6,(4.44,4.25,;3.11,3.47,;3.11,1.93,;1.78,1.16,;.44,1.94,;-.89,1.18,;-.9,-.36,;-2.23,-1.13,;-3.56,-.36,;-4.34,-1.69,;-3.01,-2.46,;-3.56,-3.44,;-4.89,-2.67,;-4.89,-1.13,;-2.23,-2.67,;-.9,-3.44,;.43,-2.67,;.43,-1.14,;1.76,-.36,;3.1,-1.14,;3.1,-2.68,;1.76,-3.44,;-.9,-4.98,;-2.24,-5.75,;-2.24,-7.29,;-.9,-8.06,;.43,-7.29,;.43,-5.75,;.45,3.47,;1.77,4.24,)| Show InChI InChI=1S/C28H31NO/c1-21-12-14-22(15-13-21)20-30-28-25-16-18-29(19-17-25)27(28)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029881
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES C(Cc1ccccc1)N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:16.19,9.9,(4.04,1.21,;4.98,2.42,;4.39,3.84,;2.87,4.04,;2.27,5.45,;3.2,6.69,;4.74,6.5,;5.33,5.06,;4.63,-.22,;3.3,-.99,;1.97,-.22,;1.19,-1.55,;2.52,-2.32,;1.97,-3.3,;.64,-2.53,;.64,-.99,;3.3,-2.53,;4.63,-3.3,;5.96,-2.53,;5.96,-1,;7.29,-.22,;8.63,-1,;8.63,-2.54,;7.29,-3.3,;4.63,-4.84,;5.96,-5.61,;5.96,-7.15,;4.63,-7.92,;3.29,-7.15,;3.29,-5.61,)| Show InChI InChI=1S/C28H32N2/c1-4-10-22(11-5-1)16-19-29-27-25-17-20-30(21-18-25)28(27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-29H,16-21H2/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029868
(1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...)Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.09,1.89,;2.11,.69,;2.67,-.75,;1.33,-1.52,;,-.73,;-.79,-2.06,;.54,-2.83,;,-3.81,;-1.32,-3.06,;-1.32,-1.52,;1.33,-3.06,;2.67,-3.83,;4,-3.06,;4,-1.52,;5.33,-.75,;6.66,-1.52,;6.66,-3.06,;5.33,-3.83,;2.66,-5.37,;3.97,-6.12,;4,-7.66,;2.66,-8.43,;1.31,-7.66,;1.31,-6.12,;.59,.93,;.03,2.37,;-1.47,2.61,;-2.03,4.04,;-1.07,5.24,;.47,5.01,;1.01,3.56,)| Show InChI InChI=1S/C27H29N3O/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029889
(CHEMBL281502 | N-((2S,3S)-2-Benzhydryl-1-aza-bicyc...)Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(5.99,.93,;4.66,.16,;4.65,-1.39,;3.3,-2.16,;1.97,-1.38,;.65,-2.16,;.65,-3.7,;1.97,-4.47,;2.53,-3.48,;1.2,-2.71,;3.3,-3.7,;4.65,-4.47,;5.99,-3.7,;5.99,-2.16,;7.32,-1.39,;8.66,-2.16,;8.66,-3.7,;7.32,-4.47,;4.64,-6.02,;5.97,-6.78,;5.99,-8.31,;4.64,-9.1,;3.3,-8.31,;3.3,-6.78,;3.32,.93,;3.33,2.48,;2,3.25,;.66,2.49,;.66,.94,;2,.16,)| Show InChI InChI=1S/C27H28N2O/c30-27(23-14-8-3-9-15-23)28-25-22-16-18-29(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029888
(CHEMBL29760 | Phenyl-carbamic acid (2S,3S)-2-benzh...)Show SMILES O=C(Nc1ccccc1)O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:17.20,10.10,(4.53,1.1,;3.2,.34,;1.85,1.11,;1.87,2.65,;.54,3.42,;.54,4.96,;1.89,5.73,;3.22,4.95,;3.2,3.42,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.81,-1.97,;-.81,-3.51,;.52,-4.28,;1.07,-3.3,;-.26,-2.53,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,)| Show InChI InChI=1S/C27H28N2O2/c30-27(28-23-14-8-3-9-15-23)31-26-22-16-18-29(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029861
(1-((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-...)Show SMILES S=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Nc1ccccc1 |wD:3.2,10.12,(3.48,1.84,;2.52,.63,;3.06,-.8,;1.73,-1.57,;.4,-.8,;-.37,-2.13,;.96,-2.9,;.4,-3.88,;-.93,-3.11,;-.93,-1.57,;1.73,-3.11,;3.06,-3.88,;4.39,-3.11,;4.39,-1.59,;5.72,-.8,;7.07,-1.59,;7.07,-3.13,;5.72,-3.88,;3.06,-5.42,;4.39,-6.19,;4.39,-7.73,;3.06,-8.5,;1.73,-7.73,;1.73,-6.19,;.99,.88,;.44,2.3,;-1.07,2.54,;-1.63,3.98,;-.65,5.18,;.87,4.94,;1.41,3.5,)| Show InChI InChI=1S/C27H29N3S/c31-27(28-23-14-8-3-9-15-23)29-25-22-16-18-30(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H2,28,29,31)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029848
(Benzoic acid (2S,3S)-2-benzhydryl-1-aza-bicyclo[2....)Show SMILES O=C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:3.2,10.12,(4.53,2.33,;3.2,1.56,;3.18,.02,;1.85,-.75,;.52,.02,;-.81,-.75,;-.81,-2.29,;.52,-3.06,;1.07,-2.08,;-.26,-1.31,;1.85,-2.29,;3.18,-3.06,;4.51,-2.29,;4.51,-.75,;5.84,.02,;7.19,-.75,;7.19,-2.29,;5.84,-3.06,;3.18,-4.6,;4.51,-5.37,;4.51,-6.91,;3.18,-7.68,;1.84,-6.91,;1.84,-5.37,;1.85,2.33,;1.87,3.89,;.54,4.64,;-.79,3.89,;-.79,2.33,;.54,1.56,)| Show InChI InChI=1S/C27H27NO2/c29-27(23-14-8-3-9-15-23)30-26-22-16-18-28(19-17-22)25(26)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029890
(CHEMBL281703 | N-((2S,3S)-2-Benzhydryl-1-aza-bicyc...)Show SMILES O=S(=O)(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:4.3,11.13,(.99,.88,;2.52,.63,;4.04,.79,;3.06,-.8,;1.73,-1.57,;.4,-.8,;-.93,-1.57,;-.93,-3.11,;.4,-3.88,;.96,-2.9,;-.37,-2.13,;1.73,-3.11,;3.06,-3.88,;4.39,-3.11,;4.39,-1.59,;5.72,-.8,;7.07,-1.59,;7.07,-3.13,;5.72,-3.88,;3.06,-5.42,;4.39,-6.19,;4.39,-7.73,;3.06,-8.5,;1.73,-7.73,;1.73,-6.19,;3.48,1.84,;5,1.58,;5.97,2.78,;5.42,4.22,;3.88,4.45,;2.92,3.26,)| Show InChI InChI=1S/C26H28N2O2S/c29-31(30,23-14-8-3-9-15-23)27-25-22-16-18-28(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-27H,16-19H2/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50029858
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES O=C(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)Oc1ccccc1 |wD:3.2,10.12,(3.02,.84,;2.05,-.36,;2.6,-1.8,;1.27,-2.57,;-.06,-1.78,;-.84,-3.11,;.49,-3.88,;-.06,-4.86,;-1.39,-4.11,;-1.39,-2.57,;1.27,-4.11,;2.6,-4.88,;3.93,-4.11,;3.93,-2.57,;5.26,-1.8,;6.6,-2.57,;6.6,-4.11,;5.26,-4.88,;2.6,-6.42,;3.93,-7.17,;3.93,-8.71,;2.6,-9.48,;1.26,-8.71,;1.26,-7.17,;.52,-.12,;-.02,1.32,;-1.53,1.56,;-2.09,2.99,;-1.12,4.19,;.4,3.96,;.94,2.51,)| Show InChI InChI=1S/C27H28N2O2/c30-27(31-23-14-8-3-9-15-23)28-25-22-16-18-29(19-17-22)26(25)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2,(H,28,30)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50281978
((2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2...)Show SMILES C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(3.2,.34,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.26,-2.53,;1.07,-3.3,;.52,-4.28,;-.81,-3.51,;-.81,-1.97,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,;4.53,1.1,;4.53,2.63,;5.86,3.4,;7.19,2.63,;7.19,1.09,;5.86,.32,)| Show InChI InChI=1S/C27H29NO/c1-4-10-21(11-5-1)20-29-27-24-16-18-28(19-17-24)26(27)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells |
Bioorg Med Chem Lett 3: 1361-1366 (1993)
Article DOI: 10.1016/S0960-894X(00)80349-2
BindingDB Entry DOI: 10.7270/Q2251J4R |
More data for this
Ligand-Target Pair | |
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