BindingDB logo
myBDB logout

PubMed code 12372504

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Substance-P receptor


(Homo sapiens (human))
BDBM50217050
PNG
(CHEMBL322885)
Show SMILES CS(=O)(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H23F6N3O5S/c1-41(39,40)34-14-19-20(23(38)35(22(19)37)18-5-3-2-4-6-18)24(34)7-9-33(10-8-24)21(36)15-11-16(25(27,28)29)13-17(12-15)26(30,31)32/h2-6,11-13,19-20H,7-10,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217049
PNG
(CHEMBL317238)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)C1C(CN2C(=O)CN2CCOCC2)C(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C31H30F6N4O5/c32-30(33,34)20-14-19(15-21(16-20)31(35,36)37)26(43)39-8-6-29(7-9-39)25-23(17-40(29)24(42)18-38-10-12-46-13-11-38)27(44)41(28(25)45)22-4-2-1-3-5-22/h1-5,14-16,23,25H,6-13,17-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217090
PNG
(CHEMBL321098)
Show InChI InChI=1S/C33H29F6N3O7S/c1-48-23-8-9-25(49-2)26(17-23)50(46,47)40-12-10-31(11-13-40)27-24(29(44)42(30(27)45)22-6-4-3-5-7-22)18-41(31)28(43)19-14-20(32(34,35)36)16-21(15-19)33(37,38)39/h3-9,14-17,24,27H,10-13,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217053
PNG
(CHEMBL102917)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C33H26F6N4O7S/c34-32(35,36)19-12-18(13-20(14-19)33(37,38)39)28(45)42-16-23-27(30(47)43(29(23)46)21-4-2-1-3-5-21)31(42)8-10-41(11-9-31)51(48,49)22-6-7-25-24(15-22)40-26(44)17-50-25/h1-7,12-15,23,27H,8-11,16-17H2,(H,40,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217087
PNG
(CHEMBL319653)
Show InChI InChI=1S/C30H25F6N3O5S/c1-37-26(41)23-16-39(45(43,44)22-7-6-17-4-2-3-5-18(17)14-22)28(24(23)27(37)42)8-10-38(11-9-28)25(40)19-12-20(29(31,32)33)15-21(13-19)30(34,35)36/h2-7,12-15,23-24H,8-11,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217091
PNG
(CHEMBL322453)
Show InChI InChI=1S/C30H26F6N4O6S/c1-16-24(17(2)46-37-16)47(44,45)38-10-8-28(9-11-38)23-22(26(42)40(27(23)43)21-6-4-3-5-7-21)15-39(28)25(41)18-12-19(29(31,32)33)14-20(13-18)30(34,35)36/h3-7,12-14,22-23H,8-11,15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217094
PNG
(CHEMBL318093)
Show InChI InChI=1S/C31H27F6N3O5S/c1-46(44,45)38-10-8-29(9-11-38)25-24(17-40(29)26(41)21-7-6-19-4-2-3-5-20(19)14-21)27(42)39(28(25)43)16-18-12-22(30(32,33)34)15-23(13-18)31(35,36)37/h2-7,12-15,24-25H,8-11,16-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
263n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217092
PNG
(CHEMBL102932)
Show InChI InChI=1S/C30H29F6N3O4/c1-27(2,3)26(43)37-11-9-28(10-12-37)22-21(24(41)39(25(22)42)20-7-5-4-6-8-20)16-38(28)23(40)17-13-18(29(31,32)33)15-19(14-17)30(34,35)36/h4-8,13-15,21-22H,9-12,16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
302n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217052
PNG
(CHEMBL106273)
Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22ClF6N3O3S/c29-21-17-3-1-2-4-19(17)42-22(21)25(41)38-13-18-20(26(38)5-7-36-8-6-26)24(40)37(23(18)39)12-14-9-15(27(30,31)32)11-16(10-14)28(33,34)35/h1-4,9-11,18,20,36H,5-8,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217089
PNG
(CHEMBL317209)
Show SMILES CN1C(=O)C2CN(Cc3cccs3)C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O
Show InChI InChI=1S/C25H23F6N3O3S/c1-32-21(36)18-13-34(12-17-3-2-8-38-17)23(19(18)22(32)37)4-6-33(7-5-23)20(35)14-9-15(24(26,27)28)11-16(10-14)25(29,30)31/h2-3,8-11,18-19H,4-7,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
513n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217093
PNG
(CHEMBL413383)
Show InChI InChI=1S/C28H25F6N3O5/c1-35-23(39)19-14-37(24(40)18-5-3-4-6-20(18)42-2)26(21(19)25(35)41)7-9-36(10-8-26)22(38)15-11-16(27(29,30)31)13-17(12-15)28(32,33)34/h3-6,11-13,19,21H,7-10,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
794n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217095
PNG
(CHEMBL105055)
Show SMILES CC(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C27H23F6N3O4/c1-15(37)34-9-7-25(8-10-34)21-20(23(39)36(24(21)40)19-5-3-2-4-6-19)14-35(25)22(38)16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h2-6,11-13,20-21H,7-10,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217051
PNG
(CHEMBL432007)
Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)COCc4ccccc4)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H27F6N3O4/c29-27(30,31)19-10-18(11-20(12-19)28(32,33)34)13-36-24(39)21-14-37(22(38)16-41-15-17-4-2-1-3-5-17)26(23(21)25(36)40)6-8-35-9-7-26/h1-5,10-12,21,23,35H,6-9,13-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217086
PNG
(CHEMBL102356)
Show InChI InChI=1S/C30H29F6N3O5/c1-18(40)37-9-7-28(8-10-37)25-23(15-39(28)24(41)17-44-16-19-5-3-2-4-6-19)26(42)38(27(25)43)14-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h2-6,11-13,23,25H,7-10,14-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.34E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50217088
PNG
(CHEMBL102332)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC2C(C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)C11CCNCC1
Show InChI InChI=1S/C28H27F6N3O5/c1-41-20-4-3-16(11-21(20)42-2)23(38)37-14-19-22(26(37)5-7-35-8-6-26)25(40)36(24(19)39)13-15-9-17(27(29,30)31)12-18(10-15)28(32,33)34/h3-4,9-12,19,22,35H,5-8,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.27E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

Curated by ChEMBL


Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells


Bioorg Med Chem Lett 12: 3073-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00659-5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%