Found 15 hits of Enzyme Inhibition Constant Data 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
(GUINEA PIG) | BDBM50070546
(1-(2-{(S)-3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropo...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070548
(1-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-p...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070554
(1'-(2-{3-(3,4-dichlorophenyl)-1-[2-(3-isopropoxyph...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC4(CC3)NC(=O)Cc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 |(14.47,-5.41,;13.13,-4.64,;13.15,-3.1,;11.78,-5.38,;10.46,-4.61,;10.48,-3.07,;9.14,-2.28,;7.79,-3.03,;7.79,-4.58,;6.44,-5.35,;5.12,-4.57,;3.77,-5.32,;5.12,-3.02,;6.48,-2.26,;6.48,-.72,;5.16,.06,;3.83,-.71,;2.49,-1.49,;1.16,-.74,;-.18,-1.52,;.23,-3.02,;-1.5,-2.03,;-2.93,-1.52,;-3.83,-2.78,;-2.66,-2.39,;-.92,-2.93,;-4.6,-4.1,;-6.13,-4.1,;-6.9,-5.41,;-6.88,-2.78,;-6.11,-1.46,;-6.87,-.13,;-6.11,1.19,;-4.59,1.18,;-3.82,-.14,;-4.59,-1.46,;3.81,-2.25,;3.81,.84,;2.48,1.6,;2.46,3.14,;3.79,3.92,;3.77,5.49,;5.12,3.17,;6.44,3.96,;5.15,1.63,;9.11,-5.37,)| Show InChI InChI=1S/C38H45Cl2N3O3/c1-27(2)46-31-10-6-8-28(22-31)23-36(45)42-18-7-14-37(26-42,30-12-13-33(39)34(40)25-30)15-19-43(3)20-16-38(17-21-43)32-11-5-4-9-29(32)24-35(44)41-38/h4-6,8-13,22,25,27H,7,14-21,23-24,26H2,1-3H3/p+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070554
(1'-(2-{3-(3,4-dichlorophenyl)-1-[2-(3-isopropoxyph...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC4(CC3)NC(=O)Cc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 |(14.47,-5.41,;13.13,-4.64,;13.15,-3.1,;11.78,-5.38,;10.46,-4.61,;10.48,-3.07,;9.14,-2.28,;7.79,-3.03,;7.79,-4.58,;6.44,-5.35,;5.12,-4.57,;3.77,-5.32,;5.12,-3.02,;6.48,-2.26,;6.48,-.72,;5.16,.06,;3.83,-.71,;2.49,-1.49,;1.16,-.74,;-.18,-1.52,;.23,-3.02,;-1.5,-2.03,;-2.93,-1.52,;-3.83,-2.78,;-2.66,-2.39,;-.92,-2.93,;-4.6,-4.1,;-6.13,-4.1,;-6.9,-5.41,;-6.88,-2.78,;-6.11,-1.46,;-6.87,-.13,;-6.11,1.19,;-4.59,1.18,;-3.82,-.14,;-4.59,-1.46,;3.81,-2.25,;3.81,.84,;2.48,1.6,;2.46,3.14,;3.79,3.92,;3.77,5.49,;5.12,3.17,;6.44,3.96,;5.15,1.63,;9.11,-5.37,)| Show InChI InChI=1S/C38H45Cl2N3O3/c1-27(2)46-31-10-6-8-28(22-31)23-36(45)42-18-7-14-37(26-42,30-12-13-33(39)34(40)25-30)15-19-43(3)20-16-38(17-21-43)32-11-5-4-9-29(32)24-35(44)41-38/h4-6,8-13,22,25,27H,7,14-21,23-24,26H2,1-3H3/p+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070558
(1-(3-(3,4-dichlorophenyl)-3-{2-[1'-methylspiro[1,2...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC4(CC3)NCCc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 |(13.19,-3.35,;13.17,-4.89,;14.5,-5.68,;11.82,-5.65,;10.5,-4.86,;10.52,-3.32,;9.19,-2.55,;7.84,-3.3,;7.84,-4.84,;6.49,-5.59,;5.18,-4.82,;3.83,-5.58,;5.18,-3.28,;6.52,-2.51,;6.52,-.97,;5.21,-.2,;3.88,-.97,;2.55,-1.76,;1.22,-1.01,;-.12,-1.8,;.29,-3.28,;-.89,-3.11,;-2.4,-3.11,;-3.17,-1.78,;-2.4,-.46,;-.87,-.46,;-3.94,-3.09,;-5.44,-3.09,;-6.21,-1.78,;-5.44,-.46,;-6.19,.86,;-5.44,2.18,;-3.9,2.17,;-3.14,.86,;-3.91,-.46,;3.86,-2.51,;3.86,.57,;2.53,1.34,;2.51,2.88,;3.85,3.65,;3.83,5.2,;5.18,2.89,;6.51,3.68,;5.2,1.35,;9.15,-5.63,)| Show InChI InChI=1S/C38H48Cl2N3O2/c1-28(2)45-32-10-6-8-29(24-32)25-36(44)42-20-7-15-37(27-42,31-12-13-34(39)35(40)26-31)16-21-43(3)22-17-38(18-23-43)33-11-5-4-9-30(33)14-19-41-38/h4-6,8-13,24,26,28,41H,7,14-23,25,27H2,1-3H3/q+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070552
(1-(3-(3,4-dichlorophenyl)-3-{2-[1'-ethylspiro[1,2,...)Show SMILES CC[N+]1(CCC2(CCCN(C2)C(=O)Cc2cccc(OC(C)C)c2)c2ccc(Cl)c(Cl)c2)CCC2(CC1)NCCc1ccccc21 |(-1.31,-5.26,;-.51,-3.93,;-.92,-2.42,;.42,-1.65,;1.75,-2.39,;3.09,-1.61,;4.42,-.84,;5.74,-1.62,;5.74,-3.16,;4.39,-3.93,;3.07,-3.15,;4.39,-5.47,;3.04,-6.22,;5.71,-6.25,;7.06,-5.48,;7.06,-3.94,;8.41,-3.19,;9.75,-3.97,;9.73,-5.51,;11.05,-6.29,;12.4,-5.55,;13.74,-6.32,;12.42,-4,;8.38,-6.28,;3.07,-.06,;1.74,.7,;1.72,2.24,;3.06,3.03,;3.04,4.59,;4.39,2.27,;5.73,3.05,;4.41,.73,;-1.69,-3.74,;-3.21,-3.74,;-3.98,-2.42,;-3.21,-1.09,;-1.67,-1.1,;-4.75,-3.74,;-6.26,-3.73,;-7.04,-2.41,;-6.26,-1.1,;-7.02,.23,;-6.26,1.57,;-4.72,1.54,;-3.96,.21,;-4.75,-1.1,)| Show InChI InChI=1S/C39H50Cl2N3O2/c1-4-44(23-18-39(19-24-44)34-12-6-5-10-31(34)15-20-42-39)22-17-38(32-13-14-35(40)36(41)27-32)16-8-21-43(28-38)37(45)26-30-9-7-11-33(25-30)46-29(2)3/h5-7,9-14,25,27,29,42H,4,8,15-24,26,28H2,1-3H3/q+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070557
(CHEMBL38030 | piperidine analogue)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC4(CC3)c3ccccc3CS4=O)(C2)c2ccc(Cl)c(Cl)c2)c1 |(13.59,-6.46,;12.27,-5.68,;12.27,-4.14,;10.93,-6.43,;9.6,-5.66,;9.61,-4.12,;8.28,-3.34,;6.95,-4.09,;6.93,-5.63,;5.6,-6.39,;4.27,-5.6,;2.93,-6.37,;4.28,-4.06,;5.63,-3.32,;5.63,-1.78,;4.3,-.97,;2.96,-1.74,;1.65,-2.55,;.3,-1.8,;-1.02,-2.58,;-1.03,-1.04,;-1.77,-3.96,;-3.5,-3.45,;-4.68,-3.82,;-3.78,-2.57,;-2.33,-3.06,;-5.14,-2.39,;-4.36,-1.07,;-5.13,.26,;-6.65,.26,;-7.41,-1.06,;-6.65,-2.39,;-7.12,-3.82,;-5.9,-4.72,;-5.91,-6.26,;2.96,-3.29,;2.96,-.2,;1.62,.53,;1.61,2.09,;2.93,2.86,;2.93,4.4,;4.28,2.11,;5.6,2.88,;4.28,.57,;8.26,-6.42,)| Show InChI InChI=1S/C37H45Cl2N2O3S/c1-27(2)44-31-10-6-8-28(22-31)23-35(42)40-18-7-14-36(26-40,30-12-13-33(38)34(39)24-30)15-19-41(3)20-16-37(17-21-41)32-11-5-4-9-29(32)25-45(37)43/h4-6,8-13,22,24,27H,7,14-21,23,25-26H2,1-3H3/q+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50366500
(CHEMBL1201933)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)OCc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C36H42Cl2N2O3/c1-26(2)43-30-9-5-7-27(21-30)22-34(41)40-17-6-13-35(25-40,29-11-12-32(37)33(38)23-29)14-18-39-19-15-36(16-20-39)31-10-4-3-8-28(31)24-42-36/h3-5,7-12,21,23,26H,6,13-20,22,24-25H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070550
(1-[3-{2-[1'-benzylspiro[1,2,3,4-tetrahydroisoquino...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(Cc4ccccc4)CCC4(CC3)NCCc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 |(13.78,-7.46,;12.46,-6.68,;12.47,-5.14,;11.11,-7.43,;9.77,-6.65,;9.8,-5.1,;8.45,-4.31,;7.13,-5.08,;7.11,-6.62,;5.78,-7.38,;4.44,-6.59,;3.11,-7.36,;4.46,-5.05,;5.79,-4.3,;5.79,-2.76,;4.47,-1.97,;3.15,-2.74,;1.83,-3.54,;.48,-2.79,;-.83,-3.57,;-.45,-5.05,;-1.22,-6.39,;-.47,-7.72,;-1.24,-9.03,;-2.79,-9.03,;-3.55,-7.68,;-2.78,-6.37,;-1.61,-4.89,;-3.14,-4.89,;-3.88,-3.56,;-3.14,-2.23,;-1.59,-2.25,;-4.65,-4.88,;-6.18,-4.86,;-6.93,-3.54,;-6.16,-2.25,;-6.93,-.91,;-6.16,.41,;-4.64,.41,;-3.87,-.93,;-4.64,-2.25,;3.15,-4.28,;3.15,-1.2,;1.81,-.45,;1.78,1.09,;3.12,1.88,;3.11,3.42,;4.46,1.11,;5.78,1.89,;4.47,-.43,;8.44,-7.39,)| Show InChI InChI=1S/C44H52Cl2N3O2/c1-33(2)51-38-14-8-12-35(28-38)29-42(50)48-24-9-19-43(32-48,37-16-17-40(45)41(46)30-37)20-25-49(31-34-10-4-3-5-11-34)26-21-44(22-27-49)39-15-7-6-13-36(39)18-23-47-44/h3-8,10-17,28,30,33,47H,9,18-27,29,31-32H2,1-2H3/q+1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070555
(CHEMBL38624 | piperidine analogue)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)c3ccccc3CS4=O)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C36H42Cl2N2O3S/c1-26(2)43-30-9-5-7-27(21-30)22-34(41)40-17-6-13-35(25-40,29-11-12-32(37)33(38)23-29)14-18-39-19-15-36(16-20-39)31-10-4-3-8-28(31)24-44(36)42/h3-5,7-12,21,23,26H,6,13-20,22,24-25H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070556
(1-{3-(3,4-Dichloro-phenyl)-3-[2-(3,4-dihydro-2H-sp...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)NCCc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H45Cl2N3O2/c1-27(2)44-31-9-5-7-28(23-31)24-35(43)42-19-6-14-36(26-42,30-11-12-33(38)34(39)25-30)15-20-41-21-16-37(17-22-41)32-10-4-3-8-29(32)13-18-40-37/h3-5,7-12,23,25,27,40H,6,13-22,24,26H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070551
(1'-(2-{3-(3,4-Dichloro-phenyl)-1-[2-(3-isopropoxy-...)Show SMILES CC(C)Oc1cccc(CC(=O)N2CCCC(CCN3CCC4(CC3)NC(=O)Cc3ccccc43)(C2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C37H43Cl2N3O3/c1-26(2)45-30-9-5-7-27(21-30)22-35(44)42-17-6-13-36(25-42,29-11-12-32(38)33(39)24-29)14-18-41-19-15-37(16-20-41)31-10-4-3-8-28(31)23-34(43)40-37/h3-5,7-12,21,24,26H,6,13-20,22-23,25H2,1-2H3,(H,40,43) | PDB
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UniProtKB/SwissProt
B.MOAD
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UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070549
(CHEMBL39232 | N-[2-(3,4-Dichloro-phenyl)-4-(3,4-di...)Show SMILES CN(CC(CCN1CCC2(CC1)NCCc1ccccc21)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O/c1-35(30(37)24-8-3-2-4-9-24)22-26(25-11-12-28(32)29(33)21-25)14-18-36-19-15-31(16-20-36)27-10-6-5-7-23(27)13-17-34-31/h2-12,21,26,34H,13-20,22H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50366499
(CHEMBL1794935)Show SMILES [H]C12CCC([H])(CC3(C1)OCc1ccccc31)N2CCC1(CCCN(C1)C(=O)Cc1cccc(OC(C)C)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H44Cl2N2O3/c1-26(2)45-32-9-5-7-27(19-32)20-36(43)41-17-6-15-37(25-41,29-11-14-34(39)35(40)21-29)16-18-42-30-12-13-31(42)23-38(22-30)33-10-4-3-8-28(33)24-44-38/h3-5,7-11,14,19,21,26,30-31H,6,12-13,15-18,20,22-25H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(GUINEA PIG) | BDBM50070545
(1'-[3-(3,4-dichlorophenyl)-4-methyl(phenyl)carboxa...)Show SMILES CN(CC(CCN1CCC2(CC1)OCc1ccccc21)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C30H32Cl2N2O2/c1-33(29(35)22-7-3-2-4-8-22)20-24(23-11-12-27(31)28(32)19-23)13-16-34-17-14-30(15-18-34)26-10-6-5-9-25(26)21-36-30/h2-12,19,24H,13-18,20-21H2,1H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Neurokinin (NK1) receptor antagonistic activity was evaluated. |
Bioorg Med Chem Lett 8: 1541-6 (1999)
BindingDB Entry DOI: 10.7270/Q2BK1CVQ |
More data for this
Ligand-Target Pair | |
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