new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'danilewicz' and Initial = 'jc'   
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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226814
PNG
(CHEMBL6424)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227298
PNG
(CHEMBL147255)
Show SMILES CCOC(C)(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227290
PNG
(CHEMBL148457)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(O)c1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
0.190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226844
PNG
(CHEMBL415288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226846
PNG
(CHEMBL6474)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113787
PNG
(CHEMBL81056 | S-(2-{2-[2-(4-Carbamimidoyl-phenoxy)...)
Show SMILES NC(=N)c1ccc(OCC[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C25H38N4O4/c26-24(27)19-9-11-21(12-10-19)33-15-13-20-8-4-5-14-29(20)25(32)22(28-17-23(30)31)16-18-6-2-1-3-7-18/h9-12,18,20,22,28H,1-8,13-17H2,(H3,26,27)(H,30,31)/t20-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226812
PNG
(CHEMBL266317)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCOc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226847
PNG
(CHEMBL6380)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)Nc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226839
PNG
(CHEMBL267457)
Show SMILES CCCCNC(=O)CCC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227287
PNG
(CHEMBL147393)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOc1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.480n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227289
PNG
(CHEMBL149047)
Show SMILES CCOC(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113790
PNG
(CHEMBL84389 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCCC1
Show InChI InChI=1S/C25H45N5O4/c1-28(19-8-4-2-3-5-9-19)22(18-23(31)32)24(33)30-14-7-6-10-20(30)13-17-34-21-11-15-29(16-12-21)25(26)27/h19-22H,2-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.530n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227296
PNG
(CHEMBL150112)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(O)c1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.620n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226848
PNG
(CHEMBL6598)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NC1CCCC1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226813
PNG
(CHEMBL6766)
Show SMILES CCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227294
PNG
(CHEMBL149262)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOC(C)C
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.670n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226853
PNG
(CHEMBL6556)
Show SMILES CCCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226842
PNG
(CHEMBL6481)
Show SMILES CCCCNC(=O)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113791
PNG
(CHEMBL84229 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCC=CCC1 |c:32|
Show InChI InChI=1S/C25H43N5O4/c1-28(19-8-4-2-3-5-9-19)22(18-23(31)32)24(33)30-14-7-6-10-20(30)13-17-34-21-11-15-29(16-12-21)25(26)27/h2-3,19-22H,4-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226838
PNG
(CHEMBL6447)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCC1CC1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113785
PNG
(CHEMBL309670 | RS-(2-{2-[2-(1-Carbamimidoyl-piperi...)
Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
Show InChI InChI=1S/C24H43N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.960n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227299
PNG
(CHEMBL149187)
Show SMILES CCOC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.990n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227291
PNG
(CHEMBL149828)
Show SMILES CCCCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226855
PNG
(CHEMBL6610)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N1CCOCC1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226845
PNG
(CHEMBL269537)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC(=O)NCC2CC2)CC1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226854
PNG
(CHEMBL267705)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113799
PNG
(CHEMBL309403 | S-4-{2-[2-(1-Carbamimidoyl-piperidi...)
Show SMILES NC(=N)N1CCC(CC1)OCC[C@@H]1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCCCC1
Show InChI InChI=1S/C24H43N5O4/c25-24(26)28-14-10-20(11-15-28)33-16-12-19-9-5-6-13-29(19)23(32)21(17-22(30)31)27-18-7-3-1-2-4-8-18/h18-21,27H,1-17H2,(H3,25,26)(H,30,31)/t19-,21-/m0/s1
PDB

UniProtKB/SwissProt

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227295
PNG
(CHEMBL149997)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)OC
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226852
PNG
(CHEMBL267164)
Show SMILES COCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113794
PNG
(CHEMBL82658 | RS-4-{2-[2-(1-Carbamimidoyl-piperidi...)
Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCCCCC1
Show InChI InChI=1S/C25H45N5O4/c26-25(27)29-15-11-21(12-16-29)34-17-13-20-10-6-7-14-30(20)24(33)22(18-23(31)32)28-19-8-4-2-1-3-5-9-19/h19-22,28H,1-18H2,(H3,26,27)(H,31,32)/t20?,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227301
PNG
(CHEMBL149481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)O
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227300
PNG
(CHEMBL146844)
Show SMILES COC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226840
PNG
(CHEMBL6789)
Show SMILES CCCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226841
PNG
(CHEMBL266927)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226843
PNG
(CHEMBL268627)
Show SMILES CCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226850
PNG
(CHEMBL6431)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCO
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113802
PNG
(5-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]...)
Show SMILES CN([C@@H](CCC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1
Show InChI InChI=1S/C25H45N5O4/c1-28(19-7-3-2-4-8-19)22(10-11-23(31)32)24(33)30-15-6-5-9-20(30)14-18-34-21-12-16-29(17-13-21)25(26)27/h19-22H,2-18H2,1H3,(H3,26,27)(H,31,32)/t20-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227286
PNG
(CHEMBL149452)
Show SMILES CCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227288
PNG
(CHEMBL150919)
Show SMILES COCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113792
PNG
(CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1
Show InChI InChI=1S/C24H43N5O4/c1-27(18-7-3-2-4-8-18)21(17-22(30)31)23(32)29-13-6-5-9-19(29)12-16-33-20-10-14-28(15-11-20)24(25)26/h18-21H,2-17H2,1H3,(H3,25,26)(H,30,31)/t19-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227293
PNG
(CHEMBL150239)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCO
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50113792
PNG
(CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1
Show InChI InChI=1S/C24H43N5O4/c1-27(18-7-3-2-4-8-18)21(17-22(30)31)23(32)29-13-6-5-9-19(29)12-16-33-20-10-14-28(15-11-20)24(25)26/h18-21H,2-17H2,1H3,(H3,25,26)(H,30,31)/t19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
3.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory effect on plasmin in bovine plasma


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227292
PNG
(CHEMBL149253)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)O
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50113792
PNG
(CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1
Show InChI InChI=1S/C24H43N5O4/c1-27(18-7-3-2-4-8-18)21(17-22(30)31)23(32)29-13-6-5-9-19(29)12-16-33-20-10-14-28(15-11-20)24(25)26/h18-21H,2-17H2,1H3,(H3,25,26)(H,30,31)/t19-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
4.97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory effect on Coagulation factor Xa (FXa) from bovine plasma


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113798
PNG
(CHEMBL82535 | RS-4-{2-[2-(1-Carbamimidoyl-piperidi...)
Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@H](CC(O)=O)NC1CCCCC1
Show InChI InChI=1S/C23H41N5O4/c24-23(25)27-13-9-19(10-14-27)32-15-11-18-8-4-5-12-28(18)22(31)20(16-21(29)30)26-17-6-2-1-3-7-17/h17-20,26H,1-16H2,(H3,24,25)(H,29,30)/t18?,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226849
PNG
(CHEMBL266279)
Show SMILES CCCCNC(=O)C1CCCN(C1)c1nc(N)c2cc(OC)c(OC)cc2n1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50113796
PNG
(CHEMBL418923 | S-4-{2-[2-(1-Carbamimidoyl-piperidi...)
Show SMILES CCC(CC)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C22H41N5O4/c1-3-16(4-2)25-19(15-20(28)29)21(30)27-11-6-5-7-17(27)10-14-31-18-8-12-26(13-9-18)22(23)24/h16-19,25H,3-15H2,1-2H3,(H3,23,24)(H,28,29)/t17-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
9.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227297
PNG
(CHEMBL147019)
Show SMILES CCOCC(OC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 90 total )  |  Next  |  Last  >>
Jump to: