Found 21 hits with Last Name = 'doleman' and Initial = 'ms' 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-K receptor
(Homo sapiens (Human)) | BDBM50030096
((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030095
((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030095
((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030096
((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030099
((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-[4-met...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)c(CC(C)CC)c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C42H56N8O8/c1-6-25(4)16-27-17-26(13-14-34(27)58-5)18-31-39(54)44-21-36(52)48-32(19-28-20-43-30-11-8-7-10-29(28)30)42(57)50-15-9-12-33(50)40(55)45-23-37(53)49-38(24(2)3)41(56)46-22-35(51)47-31/h7-8,10-11,13-14,17,20,24-25,31-33,38,43H,6,9,12,15-16,18-19,21-23H2,1-5H3,(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,52)(H,49,53)/t25?,31?,32-,33+,38+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030092
((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030092
((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030094
((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030094
((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50407271
(CHEMBL2112592)Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50407272
(CHEMBL2111789)Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50407271
(CHEMBL2112592)Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030091
((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030091
((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50407272
(CHEMBL2111789)Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030097
((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030097
((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030098
((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030090
((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50030090
((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50030098
((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...)Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
Displacement of [125I]- substance P binding to human astrocytoma cells (NK1) |
J Med Chem 37: 356-63 (1994)
BindingDB Entry DOI: 10.7270/Q21N805R |
More data for this
Ligand-Target Pair | |
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