BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 586 hits with Last Name = 'snyder' and Initial = 'w'   
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
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227363
PNG
(CHEMBL299837)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)NC3CCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C28H28ClN5O5S/c1-34-24-13-12-20(31-28(36)30-19-6-5-7-19)16-21(24)23(32-34)14-17-10-11-18(15-25(17)39-2)27(35)33-40(37,38)26-9-4-3-8-22(26)29/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3,(H,33,35)(H2,30,31,36)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.100n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227366
PNG
(CHEMBL48927)
Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.200n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227364
PNG
(CHEMBL299093)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H33ClN4O5S/c1-36-27-15-14-23(33-30(37)16-20-8-4-3-5-9-20)19-24(27)26(34-36)17-21-12-13-22(18-28(21)41-2)31(38)35-42(39,40)29-11-7-6-10-25(29)32/h6-7,10-15,18-20H,3-5,8-9,16-17H2,1-2H3,(H,33,37)(H,35,38)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.25n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227361
PNG
(CHEMBL51585)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.25n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015528
PNG
(CHEMBL50370 | N-[3-(4-Benzenesulfonylaminocarbonyl...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H33N3O5S/c1-34-20-24(27-19-25(14-15-28(27)34)32-30(35)16-21-8-6-7-9-21)17-22-12-13-23(18-29(22)39-2)31(36)33-40(37,38)26-10-4-3-5-11-26/h3-5,10-15,18-21H,6-9,16-17H2,1-2H3,(H,32,35)(H,33,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227365
PNG
(CHEMBL300096)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-26-14-13-22(32-29(36)15-19-7-3-4-8-19)18-23(26)25(33-35)16-20-11-12-21(17-27(20)40-2)30(37)34-41(38,39)28-10-6-5-9-24(28)31/h5-6,9-14,17-19H,3-4,7-8,15-16H2,1-2H3,(H,32,36)(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227640
PNG
(CHEMBL297952)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H32ClN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227642
PNG
(CHEMBL50562)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-31(37)23-13-12-22(28(18-23)40-3)17-26-25-19-24(14-15-27(25)35(2)33-26)32-30(36)16-21-9-5-6-10-21/h4,7-8,11-15,18-19,21H,5-6,9-10,16-17H2,1-3H3,(H,32,36)(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227355
PNG
(CHEMBL296821)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C29H29BrN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227356
PNG
(CHEMBL49944)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227358
PNG
(CHEMBL412056)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075926
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O2S/c1-37-31-21-25(8-11-27(31)23-35-17-4-5-18-35)20-30-29-13-12-28(36)22-32(29)38-33(30)26-9-6-24(7-10-26)14-19-34-15-2-3-16-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463404
PNG
(CHEMBL4244751)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)CC1CCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H28Cl2N6O/c29-20-9-11-21(12-10-20)36-26(22-7-3-4-8-23(22)30)33-25-27(31-18-32-28(25)36)35-15-13-34(14-16-35)24(37)17-19-5-1-2-6-19/h3-4,7-12,18-19H,1-2,5-6,13-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075934
PNG
(2-[4-(2-Amino-3-hydroxy-propoxy)-phenyl]-3-(3-meth...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCC(N)CO)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C30H34N2O4S/c1-35-28-15-20(4-5-22(28)17-32-12-2-3-13-32)14-27-26-11-8-24(34)16-29(26)37-30(27)21-6-9-25(10-7-21)36-19-23(31)18-33/h4-11,15-16,23,33-34H,2-3,12-14,17-19,31H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50000819
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)24-13-12-23(29(18-24)40-3)17-25-20-35(2)28-15-14-26(19-27(25)28)33-31(36)16-22-9-5-6-10-22/h4,7-8,11-15,18-20,22H,5-6,9-10,16-17H2,1-3H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227390
PNG
(CHEMBL301616)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C31H32BrN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015523
PNG
(CHEMBL52492 | N-{4-[5-(3-Cyclopentyl-ureido)-1-pro...)
Show SMILES CCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)NC3CCCC3)ccc12
Show InChI InChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.5n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075928
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[6-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)nc2)ccc1CN1CCCC1
Show InChI InChI=1S/C32H37N3O3S/c1-37-29-19-23(6-7-25(29)22-35-14-4-5-15-35)18-28-27-10-9-26(36)20-30(27)39-32(28)24-8-11-31(33-21-24)38-17-16-34-12-2-3-13-34/h6-11,19-21,36H,2-5,12-18,22H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075937
PNG
(2-{4-[2-(2-Hydroxymethyl-pyrrolidin-1-yl)-ethoxy]-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3CO)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C34H40N2O4S/c1-39-32-20-24(6-7-26(32)22-35-14-2-3-15-35)19-31-30-13-10-28(38)21-33(30)41-34(31)25-8-11-29(12-9-25)40-18-17-36-16-4-5-27(36)23-37/h6-13,20-21,27,37-38H,2-5,14-19,22-23H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463413
PNG
(CHEMBL4242477)
Show SMILES CCCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26Cl2N6O2S/c1-2-3-16-36(34,35)32-14-12-31(13-15-32)24-22-25(29-17-28-24)33(19-10-8-18(26)9-11-19)23(30-22)20-6-4-5-7-21(20)27/h4-11,17H,2-3,12-16H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27337
PNG
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)
Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227389
PNG
(CHEMBL51580)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.700n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015551
PNG
(CHEMBL301498 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H32N4O5S/c1-34-19-22(26-18-24(14-15-27(26)34)32-30(36)31-23-8-6-7-9-23)16-20-12-13-21(17-28(20)39-2)29(35)33-40(37,38)25-10-4-3-5-11-25/h3-5,10-15,17-19,23H,6-9,16H2,1-2H3,(H,33,35)(H2,31,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227367
PNG
(CHEMBL48435)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-33-19-22(26-18-23(14-15-27(26)33)31-30(35)39-24-8-6-7-9-24)16-20-12-13-21(17-28(20)38-2)29(34)32-40(36,37)25-10-4-3-5-11-25/h3-5,10-15,17-19,24H,6-9,16H2,1-2H3,(H,31,35)(H,32,34)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075932
PNG
(2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-N-{4-[...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H37N3O5S2/c1-41-30-19-23(4-5-25(30)21-35-12-2-3-13-35)18-29-28-11-10-27(37)20-31(28)42-33(29)24-6-8-26(9-7-24)34-32(38)22-36-14-16-43(39,40)17-15-36/h4-11,19-20,37H,2-3,12-18,21-22H2,1H3,(H,34,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461710
PNG
(CHEMBL4225147)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H23Cl3N6/c29-20-8-10-22(11-9-20)37-26(23-6-1-2-7-24(23)31)34-25-27(32-18-33-28(25)37)36-14-12-35(13-15-36)17-19-4-3-5-21(30)16-19/h1-11,16,18H,12-15,17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075938
PNG
(3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O3S/c1-37-31-21-24(6-7-26(31)23-35-16-4-5-17-35)20-30-29-13-10-27(36)22-32(29)39-33(30)25-8-11-28(12-9-25)38-19-18-34-14-2-3-15-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015517
PNG
(2-Cyclopentyl-N-{3-[2-methoxy-4-(toluene-2-sulfony...)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O5S/c1-20-7-3-6-10-29(20)40(37,38)34-31(36)23-12-11-22(28(17-23)39-2)16-24-19-32-27-14-13-25(18-26(24)27)33-30(35)15-21-8-4-5-9-21/h3,6-7,10-14,17-19,21,32H,4-5,8-9,15-16H2,1-2H3,(H,33,35)(H,34,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463410
PNG
(CHEMBL4250064)
Show SMILES FC(F)(F)C(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H17Cl2F3N6O/c24-14-5-7-15(8-6-14)34-19(16-3-1-2-4-17(16)25)31-18-20(29-13-30-21(18)34)32-9-11-33(12-10-32)22(35)23(26,27)28/h1-8,13H,9-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461703
PNG
(CHEMBL4225421)
Show SMILES Clc1ccc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H23Cl3N6/c29-20-7-5-19(6-8-20)17-35-13-15-36(16-14-35)27-25-28(33-18-32-27)37(22-11-9-21(30)10-12-22)26(34-25)23-3-1-2-4-24(23)31/h1-12,18H,13-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461698
PNG
(CHEMBL4227354)
Show SMILES CC(N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N6/c1-20(21-7-3-2-4-8-21)35-15-17-36(18-16-35)28-26-29(33-19-32-28)37(23-13-11-22(30)12-14-23)27(34-26)24-9-5-6-10-25(24)31/h2-14,19-20H,15-18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463403
PNG
(CHEMBL4248795)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl2N6O2S/c1-2-15-35(33,34)31-13-11-30(12-14-31)23-21-24(28-16-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,16H,2,11-15H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463398
PNG
(CHEMBL4238756)
Show SMILES FC(F)(F)CCS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21Cl2F3N6O2S/c25-16-5-7-17(8-6-16)35-21(18-3-1-2-4-19(18)26)32-20-22(30-15-31-23(20)35)33-10-12-34(13-11-33)38(36,37)14-9-24(27,28)29/h1-8,15H,9-14H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463414
PNG
(CHEMBL4246283)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)NC1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H29Cl2N7O/c29-19-10-12-21(13-11-19)37-25(22-8-4-5-9-23(22)30)34-24-26(31-18-32-27(24)37)35-14-16-36(17-15-35)28(38)33-20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50227638
PNG
(CHEMBL49566)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H29N3O6S/c1-37-27-16-20(28(33)32-39(35,36)24-9-3-2-4-10-24)12-11-19(27)15-21-18-30-26-14-13-22(17-25(21)26)31-29(34)38-23-7-5-6-8-23/h2-4,9-14,16-18,23,30H,5-8,15H2,1H3,(H,31,34)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.40n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50015540
PNG
(CHEMBL431348 | N-{4-[5-(3-Cyclopentyl-ureido)-1-me...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-30(36)22-13-12-21(28(17-22)40-3)16-23-19-35(2)27-15-14-25(18-26(23)27)33-31(37)32-24-9-5-6-10-24/h4,7-8,11-15,17-19,24H,5-6,9-10,16H2,1-3H3,(H,34,36)(H2,32,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.40n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463417
PNG
(CHEMBL4244992)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24Cl2N6O2S/c1-16(2)35(33,34)31-13-11-30(12-14-31)23-21-24(28-15-27-23)32(18-9-7-17(25)8-10-18)22(29-21)19-5-3-4-6-20(19)26/h3-10,15-16H,11-14H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463419
PNG
(CHEMBL4244624)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)S(=O)(=O)CC1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H30Cl2N6O2S/c29-21-10-12-22(13-11-21)36-26(23-8-4-5-9-24(23)30)33-25-27(31-19-32-28(25)36)34-14-16-35(17-15-34)39(37,38)18-20-6-2-1-3-7-20/h4-5,8-13,19-20H,1-3,6-7,14-18H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50075935
PNG
(3-(3-Methyl-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-(...)
Show SMILES Cc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H38N2O2S/c1-24-20-25(6-7-27(24)23-35-16-4-5-17-35)21-31-30-13-10-28(36)22-32(30)38-33(31)26-8-11-29(12-9-26)37-19-18-34-14-2-3-15-34/h6-13,20,22,36H,2-5,14-19,21,23H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition


Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461691
PNG
(CHEMBL4224946)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H21Cl2FN6/c28-18-5-9-21(10-6-18)36-25(22-3-1-2-4-23(22)29)33-24-26(31-17-32-27(24)36)35-15-13-34(14-16-35)20-11-7-19(30)8-12-20/h1-12,17H,13-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461712
PNG
(CHEMBL4229172)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccn1)-c1ccccc1Cl
Show InChI InChI=1S/C26H21Cl2N7/c27-18-8-10-19(11-9-18)35-24(20-5-1-2-6-21(20)28)32-23-25(30-17-31-26(23)35)34-15-13-33(14-16-34)22-7-3-4-12-29-22/h1-12,17H,13-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463422
PNG
(CHEMBL4248778)
Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N6O/c1-27(2,3)16-22(36)33-12-14-34(15-13-33)25-23-26(31-17-30-25)35(19-10-8-18(28)9-11-19)24(32-23)20-6-4-5-7-21(20)29/h4-11,17H,12-16H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463418
PNG
(CHEMBL4238314)
Show SMILES CC(C)CS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26Cl2N6O2S/c1-17(2)15-36(34,35)32-13-11-31(12-14-32)24-22-25(29-16-28-24)33(19-9-7-18(26)8-10-19)23(30-22)20-5-3-4-6-21(20)27/h3-10,16-17H,11-15H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461705
PNG
(CHEMBL4226777)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccccc2)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C29H26Cl2N6/c30-22-10-12-23(13-11-22)37-27(24-8-4-5-9-25(24)31)34-26-28(32-20-33-29(26)37)36-18-16-35(17-19-36)15-14-21-6-2-1-3-7-21/h1-13,20H,14-19H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461688
PNG
(CHEMBL4225049)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H28Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h4-5,8-13,18,20H,1-3,6-7,14-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461685
PNG
(CHEMBL4227442)
Show SMILES FC(F)(F)Oc1ccccc1CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H23Cl2F3N6O/c30-20-9-11-21(12-10-20)40-26(22-6-2-3-7-23(22)31)37-25-27(35-18-36-28(25)40)39-15-13-38(14-16-39)17-19-5-1-4-8-24(19)41-29(32,33)34/h1-12,18H,13-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50461693
PNG
(CHEMBL4228096)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C27H22Cl2N6/c28-19-10-12-21(13-11-19)35-25(22-8-4-5-9-23(22)29)32-24-26(30-18-31-27(24)35)34-16-14-33(15-17-34)20-6-2-1-3-7-20/h1-13,18H,14-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes


J Med Chem 61: 4370-4385 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01820
BindingDB Entry DOI: 10.7270/Q20004QP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50463423
PNG
(CHEMBL4249233)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)C1CCSCC1)-c1ccccc1Cl
Show InChI InChI=1S/C27H26Cl2N6OS/c28-19-5-7-20(8-6-19)35-24(21-3-1-2-4-22(21)29)32-23-25(30-17-31-26(23)35)33-11-13-34(14-12-33)27(36)18-9-15-37-16-10-18/h1-8,17-18H,9-16H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem 26: 4518-4531 (2018)


Article DOI: 10.1016/j.bmc.2018.07.043
BindingDB Entry DOI: 10.7270/Q2VM4FW4
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 586 total )  |  Next  |  Last  >>
Jump to: