Found 11536 hits with Last Name = 'pal' and Initial = 'k' 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 |
|---|
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50017931
(CHEMBL3289302)Show SMILES NCCC1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(c1)C1CCC(N)=NC1 |r,c:39| Show InChI InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32)/t23?,25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305851
(CHEMBL596273 | trans-4-((5-(2-(3-methoxybenzylcarb...)Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@@H](CC3)C(O)=O)n2)c1 |r,wU:26.30,wD:23.23,(7.62,-43.42,;8.41,-44.75,;9.95,-44.72,;10.71,-43.37,;12.25,-43.35,;13.03,-44.67,;12.28,-46.01,;13.07,-47.34,;14.61,-47.32,;15.4,-48.64,;14.64,-49.98,;16.94,-48.62,;17.69,-47.28,;19.23,-47.26,;20.02,-48.58,;19.27,-49.92,;20.07,-51.25,;17.72,-49.95,;19.99,-45.92,;19.34,-44.51,;20.47,-43.47,;21.82,-44.22,;23.22,-43.58,;24.56,-44.32,;24.59,-45.86,;25.93,-46.61,;27.25,-45.82,;27.22,-44.27,;25.88,-43.53,;28.6,-46.57,;28.63,-48.1,;29.92,-45.77,;21.52,-45.73,;10.74,-46.04,)| Show InChI InChI=1S/C24H28N6O4/c1-15-10-19(12-21(26-15)23(31)25-13-17-4-3-5-20(11-17)34-2)22-27-29-30(28-22)14-16-6-8-18(9-7-16)24(32)33/h3-5,10-12,16,18H,6-9,13-14H2,1-2H3,(H,25,31)(H,32,33)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe... |
J Med Chem 59: 313-27 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305851
(CHEMBL596273 | trans-4-((5-(2-(3-methoxybenzylcarb...)Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@@H](CC3)C(O)=O)n2)c1 |r,wU:26.30,wD:23.23,(7.62,-43.42,;8.41,-44.75,;9.95,-44.72,;10.71,-43.37,;12.25,-43.35,;13.03,-44.67,;12.28,-46.01,;13.07,-47.34,;14.61,-47.32,;15.4,-48.64,;14.64,-49.98,;16.94,-48.62,;17.69,-47.28,;19.23,-47.26,;20.02,-48.58,;19.27,-49.92,;20.07,-51.25,;17.72,-49.95,;19.99,-45.92,;19.34,-44.51,;20.47,-43.47,;21.82,-44.22,;23.22,-43.58,;24.56,-44.32,;24.59,-45.86,;25.93,-46.61,;27.25,-45.82,;27.22,-44.27,;25.88,-43.53,;28.6,-46.57,;28.63,-48.1,;29.92,-45.77,;21.52,-45.73,;10.74,-46.04,)| Show InChI InChI=1S/C24H28N6O4/c1-15-10-19(12-21(26-15)23(31)25-13-17-4-3-5-20(11-17)34-2)22-27-29-30(28-22)14-16-6-8-18(9-7-16)24(32)33/h3-5,10-12,16,18H,6-9,13-14H2,1-2H3,(H,25,31)(H,32,33)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305844
(4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridi...)Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(Cc3ccc(cc3)C(O)=O)n2)c1 Show InChI InChI=1S/C24H22N6O4/c1-15-10-19(12-21(26-15)23(31)25-13-17-4-3-5-20(11-17)34-2)22-27-29-30(28-22)14-16-6-8-18(9-7-16)24(32)33/h3-12H,13-14H2,1-2H3,(H,25,31)(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50142473
(CHEMBL3758194)Show SMILES COc1cc(CNC(=O)c2cc(nc(C)n2)-c2nnn(C[C@H]3CO[C@@H](CO3)C(O)=O)n2)ccc1F |r| Show InChI InChI=1S/C21H22FN7O6/c1-11-24-15(19-26-28-29(27-19)8-13-9-35-18(10-34-13)21(31)32)6-16(25-11)20(30)23-7-12-3-4-14(22)17(5-12)33-2/h3-6,13,18H,7-10H2,1-2H3,(H,23,30)(H,31,32)/t13-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe... |
J Med Chem 59: 313-27 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROCK2 expressed in baculovirus expression system by Kinase-Glo luminescent Assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50546246
(CHEMBL4753043 | US11608319, Compound AR-13503)Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human ROCK1 expressed in baculovirus expression system by Kinase-Glo luminescent Assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305858
(CHEMBL605928 | trans-4-((5-(2-(4-fluoro-3-methylbe...)Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(C)c1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:27.32,wD:24.25,(4.82,-51.39,;4.03,-50.06,;4.78,-48.72,;3.99,-47.4,;2.44,-47.42,;1.69,-48.76,;2.48,-50.09,;.15,-48.78,;-.6,-50.12,;-.64,-47.46,;-2.18,-47.48,;-2.96,-46.15,;-2.21,-44.81,;-3,-43.49,;-4.54,-43.51,;-5.33,-42.19,;-5.29,-44.86,;-6.83,-44.89,;-4.5,-46.18,;4.74,-46.06,;4.1,-44.65,;5.23,-43.61,;6.57,-44.36,;7.97,-43.72,;9.32,-44.46,;9.34,-46,;10.69,-46.75,;12.01,-45.96,;11.98,-44.41,;10.63,-43.67,;13.36,-46.71,;13.39,-48.24,;14.68,-45.91,;6.27,-45.87,)| Show InChI InChI=1S/C24H27FN6O3/c1-14-9-17(5-8-20(14)25)12-26-23(32)21-11-19(10-15(2)27-21)22-28-30-31(29-22)13-16-3-6-18(7-4-16)24(33)34/h5,8-11,16,18H,3-4,6-7,12-13H2,1-2H3,(H,26,32)(H,33,34)/t16-,18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50142443
(CHEMBL3758625)Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@@H](CC3)NS(C)(=O)=O)n2)c1 |r,wU:23.23,wD:26.30,(6.64,-9.72,;6.65,-8.49,;5.32,-7.71,;3.98,-8.48,;2.65,-7.7,;2.66,-6.16,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;-1.95,9.33,;-1.32,10.73,;.21,10.89,;1.11,9.64,;.48,8.24,;.84,12.3,;2.37,12.45,;3.09,11.45,;2.88,13.58,;3.6,12.58,;-1.25,3.96,;5.33,-6.17,)| Show InChI InChI=1S/C24H31N7O4S/c1-16-11-19(13-22(26-16)24(32)25-14-18-5-4-6-21(12-18)35-2)23-27-30-31(28-23)15-17-7-9-20(10-8-17)29-36(3,33)34/h4-6,11-13,17,20,29H,7-10,14-15H2,1-3H3,(H,25,32)/t17-,20- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe... |
J Med Chem 59: 313-27 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305856
(CHEMBL603206 | trans-4-((5-(2-(3-chloro-4-fluorobe...)Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(Cl)c1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:27.32,wD:24.25,(3.2,-37.11,;2.41,-35.78,;3.16,-34.44,;2.37,-33.12,;.83,-33.14,;.07,-34.48,;.86,-35.81,;-1.47,-34.5,;-2.22,-35.84,;-2.25,-33.18,;-3.79,-33.2,;-4.58,-31.87,;-3.83,-30.53,;-4.62,-29.21,;-6.16,-29.23,;-6.95,-27.91,;-6.91,-30.58,;-8.45,-30.61,;-6.12,-31.9,;3.12,-31.78,;2.48,-30.37,;3.61,-29.33,;4.96,-30.08,;6.36,-29.44,;7.7,-30.18,;7.72,-31.72,;9.07,-32.47,;10.39,-31.68,;10.36,-30.13,;9.02,-29.39,;11.74,-32.43,;11.77,-33.96,;13.06,-31.63,;4.66,-31.59,)| Show InChI InChI=1S/C23H24ClFN6O3/c1-13-8-17(10-20(27-13)22(32)26-11-15-4-7-19(25)18(24)9-15)21-28-30-31(29-21)12-14-2-5-16(6-3-14)23(33)34/h4,7-10,14,16H,2-3,5-6,11-12H2,1H3,(H,26,32)(H,33,34)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305855
(CHEMBL595156 | trans-4-((5-(2-(4-fluoro-3-methoxyb...)Show SMILES COc1cc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@@H](CC3)C(O)=O)n2)ccc1F |r,wU:24.28,wD:21.21,(17.07,-17.7,;17.86,-19.02,;19.4,-18.99,;20.19,-20.31,;21.73,-20.28,;22.52,-21.61,;24.06,-21.59,;24.85,-22.91,;24.09,-24.26,;26.39,-22.89,;27.14,-21.55,;28.68,-21.53,;29.47,-22.85,;28.72,-24.2,;29.52,-25.52,;27.17,-24.22,;29.44,-20.19,;28.79,-18.78,;29.92,-17.74,;31.27,-18.49,;32.67,-17.85,;34.01,-18.6,;34.04,-20.13,;35.38,-20.88,;36.7,-20.09,;36.67,-18.54,;35.33,-17.8,;38.05,-20.84,;38.08,-22.38,;39.37,-20.04,;30.97,-20,;22.48,-18.94,;21.7,-17.62,;20.16,-17.64,;19.37,-16.32,)| Show InChI InChI=1S/C24H27FN6O4/c1-14-9-18(22-28-30-31(29-22)13-15-3-6-17(7-4-15)24(33)34)11-20(27-14)23(32)26-12-16-5-8-19(25)21(10-16)35-2/h5,8-11,15,17H,3-4,6-7,12-13H2,1-2H3,(H,26,32)(H,33,34)/t15-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354515
(CHEMBL261719)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354492
(CHEMBL260994)Show SMILES Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15| Show InChI InChI=1S/C22H26ClN3O/c23-17-8-10-18(11-9-17)26-15-13-25(14-16-26)12-4-3-6-20-19-5-1-2-7-21(19)24-22(20)27/h1-2,5,7-11,20H,3-4,6,12-16H2,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50180197
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 3159-62 (2007)
Article DOI: 10.1021/jm070259t
BindingDB Entry DOI: 10.7270/Q2513XXX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354515
(CHEMBL261719)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29) | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354521
(CHEMBL408976)Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(21-10-3-4-11-22(21)26-23(24)29)12-5-6-13-27-14-16-28(17-15-27)20-9-7-8-19(25)18-20/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,26,29) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354521
(CHEMBL408976)Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(21-10-3-4-11-22(21)26-23(24)29)12-5-6-13-27-14-16-28(17-15-27)20-9-7-8-19(25)18-20/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,26,29) | PDB
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354506
(CHEMBL260872)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H30FN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29) | PDB
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354506
(CHEMBL260872)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H30FN3O/c1-2-24(21-7-3-4-8-22(21)26-23(24)29)13-5-6-14-27-15-17-28(18-16-27)20-11-9-19(25)10-12-20/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,26,29) | PDB
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354522
(CHEMBL261209)Show SMILES Clc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15| Show InChI InChI=1S/C22H26ClN3O/c23-17-6-5-7-18(16-17)26-14-12-25(13-15-26)11-4-3-9-20-19-8-1-2-10-21(19)24-22(20)27/h1-2,5-8,10,16,20H,3-4,9,11-15H2,(H,24,27) | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354522
(CHEMBL261209)Show SMILES Clc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15| Show InChI InChI=1S/C22H26ClN3O/c23-17-6-5-7-18(16-17)26-14-12-25(13-15-26)11-4-3-9-20-19-8-1-2-10-21(19)24-22(20)27/h1-2,5-8,10,16,20H,3-4,9,11-15H2,(H,24,27) | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50374600
(CHEMBL272899)Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3 | PDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate |
J Med Chem 55: 8272-82 (2012)
Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354503
(CHEMBL259087)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H29Cl2N3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-20(25)21(26)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50376328
(CHEMBL406414)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(F)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-21(26)20(25)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50305857
(CHEMBL594932 | trans-4-((5-(2-(4-fluoro-3-(trifluo...)Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(c1)C(F)(F)F)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:30.35,wD:27.28,(30.42,-38.58,;29.63,-37.25,;30.37,-35.91,;29.59,-34.59,;28.04,-34.61,;27.29,-35.95,;28.08,-37.28,;25.75,-35.97,;24.99,-37.31,;24.96,-34.65,;23.42,-34.67,;22.63,-33.34,;23.38,-32,;22.6,-30.68,;21.06,-30.7,;20.27,-29.38,;20.3,-32.05,;21.09,-33.37,;18.76,-32.08,;17.97,-30.75,;18.02,-33.42,;17.22,-32.07,;30.34,-33.25,;29.7,-31.84,;30.83,-30.8,;32.17,-31.55,;33.57,-30.91,;34.92,-31.65,;34.94,-33.19,;36.28,-33.94,;37.6,-33.15,;37.57,-31.6,;36.23,-30.86,;38.96,-33.9,;38.98,-35.43,;40.28,-33.1,;31.87,-33.06,)| Show InChI InChI=1S/C24H24F4N6O3/c1-13-8-17(21-31-33-34(32-21)12-14-2-5-16(6-3-14)23(36)37)10-20(30-13)22(35)29-11-15-4-7-19(25)18(9-15)24(26,27)28/h4,7-10,14,16H,2-3,5-6,11-12H2,1H3,(H,29,35)(H,36,37)/t14-,16- | PDB
MMDB
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| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs |
Bioorg Med Chem Lett 20: 576-80 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354503
(CHEMBL259087)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H29Cl2N3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-20(25)21(26)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30) | PDB
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| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50376339
(CHEMBL259086)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(C)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C25H32ClN3O/c1-3-25(21-8-4-5-9-23(21)27-24(25)30)12-6-7-13-28-14-16-29(17-15-28)20-11-10-19(2)22(26)18-20/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3,(H,27,30) | PDB
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| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50376324
(CHEMBL259549)Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2cc(F)ccc12 |w:2.1| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-9-8-19(26)17-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30) | PDB
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| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 43: 970-5 (1993)
BindingDB Entry DOI: 10.7270/Q2ZS2V1S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50208801
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 | PDB
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| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1810-27 (2007)
Article DOI: 10.1021/jm061278q
BindingDB Entry DOI: 10.7270/Q28916P1 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50487259
(CHEBI:64219 | [3H]NEMONAPRIDE)Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C |r| Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1 | PDB
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| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-methylspiperone from dopamine D4 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128047
BindingDB Entry DOI: 10.7270/Q2CJ8J8S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354493
(CHEMBL409662)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30) | PDB
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354493
(CHEMBL409662)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30) | PDB
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM282825
(6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...)Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of TGFBR1 in human whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation |
ACS Med Chem Lett 11: 172-178 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00552
BindingDB Entry DOI: 10.7270/Q2MP56K3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.2c00365
BindingDB Entry DOI: 10.7270/Q2GX4GN3 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50487259
(CHEBI:64219 | [3H]NEMONAPRIDE)Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C |r| Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1 | PDB
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-methylspiperone from dopamine D3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128047
BindingDB Entry DOI: 10.7270/Q2CJ8J8S |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50398057
(CHEMBL2181924)Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2 | PDB
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| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate |
J Med Chem 55: 8272-82 (2012)
Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50398057
(CHEMBL2181924)Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2 | PDB
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| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate |
J Med Chem 55: 8272-82 (2012)
Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM108255
(US8609833, 86)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C16H23N5O3/c1-2-10-12(22)13(23)16(24-10)21-8-19-11-14(17-7-18-15(11)21)20-9-5-3-4-6-9/h7-10,12-13,16,22-23H,2-6H2,1H3,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
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| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to A1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50017916
(CHEMBL3289038)Show SMILES N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(22.46,-8.49,;21.13,-7.72,;21.13,-6.18,;19.8,-5.41,;18.46,-6.18,;18.46,-7.72,;19.8,-8.49,;17.13,-5.41,;15.8,-6.18,;15.8,-7.72,;14.46,-5.41,;14.46,-3.87,;13.13,-3.1,;13.13,-1.56,;14.46,-.79,;14.46,.75,;15.8,1.52,;17.13,.75,;17.13,-.79,;15.8,-1.56,;18.46,1.52,;19.8,.75,;18.46,3.06,;11.79,-3.87,;11.79,-5.41,;10.46,-6.18,;9.13,-5.41,;7.79,-6.18,;6.46,-5.41,;6.46,-3.87,;7.79,-3.1,;9.13,-3.87,;5.13,-3.1,;3.79,-3.87,;5.13,-1.56,;13.13,-6.18,)| Show InChI InChI=1S/C27H29N5O4/c28-19-5-11-22(12-6-19)36-27(33)18-13-23(34-20-7-1-16(2-8-20)25(29)30)15-24(14-18)35-21-9-3-17(4-10-21)26(31)32/h1-4,7-10,13-15,19,22H,5-6,11-12,28H2,(H3,29,30)(H3,31,32)/t19-,22- | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Limited
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide |
Bioorg Med Chem 22: 3187-203 (2014)
Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50376327
(CHEMBL410226)Show SMILES CCC1(CCCCN2CCC(=CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12 |w:2.2,c:10| Show InChI InChI=1S/C25H29ClN2O/c1-2-25(22-7-3-4-8-23(22)27-24(25)29)15-5-6-16-28-17-13-20(14-18-28)19-9-11-21(26)12-10-19/h3-4,7-13H,2,5-6,14-18H2,1H3,(H,27,29) | PDB
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| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354513
(CHEMBL269083)Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc12 |w:2.1| Show InChI InChI=1S/C24H29Cl2N3O/c1-2-24(21-17-19(26)7-10-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30) | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry |
J Med Chem 54: 6657-69 (2011)
Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50354497
(CHEMBL410225)Show SMILES CCC1(CCCCN2CCC(=CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12 |w:2.2,c:10| Show InChI InChI=1S/C25H29FN2O/c1-2-25(22-7-3-4-8-23(22)27-24(25)29)15-5-6-16-28-17-13-20(14-18-28)19-9-11-21(26)12-10-19/h3-4,7-13H,2,5-6,14-18H2,1H3,(H,27,29) | PDB
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| 1.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EGIS Pharmaceuticals Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells |
J Med Chem 51: 2522-32 (2008)
Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50570808
(CHEMBL4846574)Show SMILES COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC | PDB
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TBA
| Assay Description
Displacement of [3H]-methylspiperone from dopamine D3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128047
BindingDB Entry DOI: 10.7270/Q2CJ8J8S |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
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Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 43: 970-5 (1993)
BindingDB Entry DOI: 10.7270/Q2ZS2V1S |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50001765
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6| Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 43: 970-5 (1993)
BindingDB Entry DOI: 10.7270/Q2ZS2V1S |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 43: 970-5 (1993)
BindingDB Entry DOI: 10.7270/Q2ZS2V1S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to A3 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM50017320
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21 Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3 | PDB
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Merck Sharp & Dohme Research Laboratories
Curated by PDSP Ki Database
| |
Mol Pharmacol 43: 970-5 (1993)
BindingDB Entry DOI: 10.7270/Q2ZS2V1S |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50142269
(CHEMBL3759811)Show SMILES COc1cc(CNC(=O)c2cc(cc(C)n2)-c2nnn(C[C@H]3CC[C@H](CO)CC3)n2)ccc1F |r,wU:21.21,wD:24.25,(7.72,-7.87,;6.65,-8.48,;5.32,-7.71,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;,3.08,;1.24,3.97,;.77,5.43,;-.77,5.43,;-1.68,6.67,;-1.05,8.08,;-1.95,9.33,;-1.32,10.73,;.21,10.89,;.84,12.3,;2.07,12.42,;1.11,9.64,;.48,8.24,;-1.25,3.96,;2.66,-6.16,;2.65,-7.7,;3.98,-8.48,;3.98,-9.71,)| Show InChI InChI=1S/C24H29FN6O3/c1-15-9-19(23-28-30-31(29-23)13-16-3-5-17(14-32)6-4-16)11-21(27-15)24(33)26-12-18-7-8-20(25)22(10-18)34-2/h7-11,16-17,32H,3-6,12-14H2,1-2H3,(H,26,33)/t16-,17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe... |
J Med Chem 59: 313-27 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F |
More data for this
Ligand-Target Pair | |
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