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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226814
PNG
(CHEMBL6424)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D 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
Show InChI InChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227290
PNG
(CHEMBL148457)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(O)c1ccccc1
Show InChI InChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226844
PNG
(CHEMBL415288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-28(15-16-7-5-4-6-8-16)23(30)17-9-11-29(12-10-17)24-26-19-14-21(32-3)20(31-2)13-18(19)22(25)27-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226846
PNG
(CHEMBL6474)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226812
PNG
(CHEMBL266317)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C24H29N5O4/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-11-8-16(9-12-29)23(30)26-10-13-33-17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.420n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226847
PNG
(CHEMBL6380)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-29-18-12-16-17(13-19(18)30-2)25-22(26-20(16)23)27-10-8-14(9-11-27)21(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H2,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226839
PNG
(CHEMBL267457)
Show SMILES CCCCNC(=O)CCC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H33N5O3/c1-4-5-10-24-20(28)7-6-15-8-11-27(12-9-15)22-25-17-14-19(30-3)18(29-2)13-16(17)21(23)26-22/h13-15H,4-12H2,1-3H3,(H,24,28)(H2,23,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227287
PNG
(CHEMBL147393)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOc1ccccc1
Show InChI InChI=1S/C23H28N4O4/c1-28-20-14-18-19(15-21(20)29-2)25-23(26-22(18)24)27-10-8-17(9-11-27)31-13-12-30-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.480n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227289
PNG
(CHEMBL149047)
Show SMILES CCOC(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Show InChI InChI=1S/C25H32N4O4/c1-4-32-23(17-8-6-5-7-9-17)16-33-18-10-12-29(13-11-18)25-27-20-15-22(31-3)21(30-2)14-19(20)24(26)28-25/h5-9,14-15,18,23H,4,10-13,16H2,1-3H3,(H2,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


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


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227296
PNG
(CHEMBL150112)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(O)c1ccccc1
Show InChI InChI=1S/C24H30N4O4/c1-24(29,16-7-5-4-6-8-16)15-32-17-9-11-28(12-10-17)23-26-19-14-21(31-3)20(30-2)13-18(19)22(25)27-23/h4-8,13-14,17,29H,9-12,15H2,1-3H3,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.620n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226848
PNG
(CHEMBL6598)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C21H29N5O3/c1-28-17-11-15-16(12-18(17)29-2)24-21(25-19(15)22)26-9-7-13(8-10-26)20(27)23-14-5-3-4-6-14/h11-14H,3-10H2,1-2H3,(H,23,27)(H2,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226813
PNG
(CHEMBL6766)
Show SMILES CCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H29N5O3/c1-4-7-22-18(26)10-13-5-8-25(9-6-13)20-23-15-12-17(28-3)16(27-2)11-14(15)19(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227294
PNG
(CHEMBL149262)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCOC(C)C
Show InChI InChI=1S/C20H30N4O4/c1-13(2)27-9-10-28-14-5-7-24(8-6-14)20-22-16-12-18(26-4)17(25-3)11-15(16)19(21)23-20/h11-14H,5-10H2,1-4H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226853
PNG
(CHEMBL6556)
Show SMILES CCCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-6-9-25(10-7-13)20-23-15-12-17(28-3)16(27-2)11-14(15)18(21)24-20/h11-13H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226842
PNG
(CHEMBL6481)
Show SMILES CCCCNC(=O)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H31N5O4/c1-4-5-8-23-19(27)13-30-14-6-9-26(10-7-14)21-24-16-12-18(29-3)17(28-2)11-15(16)20(22)25-21/h11-12,14H,4-10,13H2,1-3H3,(H,23,27)(H2,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226838
PNG
(CHEMBL6447)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCC1CC1
Show InChI InChI=1S/C20H27N5O3/c1-27-16-9-14-15(10-17(16)28-2)23-20(24-18(14)21)25-7-5-13(6-8-25)19(26)22-11-12-3-4-12/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,26)(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227299
PNG
(CHEMBL149187)
Show SMILES CCOC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H30N4O4/c1-5-27-13(2)12-28-14-6-8-24(9-7-14)20-22-16-11-18(26-4)17(25-3)10-15(16)19(21)23-20/h10-11,13-14H,5-9,12H2,1-4H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.990n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227291
PNG
(CHEMBL149828)
Show SMILES CCCCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H32N4O4/c1-4-5-10-28-11-12-29-15-6-8-25(9-7-15)21-23-17-14-19(27-3)18(26-2)13-16(17)20(22)24-21/h13-15H,4-12H2,1-3H3,(H2,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226855
PNG
(CHEMBL6610)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H27N5O4/c1-27-16-11-14-15(12-17(16)28-2)22-20(23-18(14)21)25-5-3-13(4-6-25)19(26)24-7-9-29-10-8-24/h11-13H,3-10H2,1-2H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226845
PNG
(CHEMBL269537)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC(=O)NCC2CC2)CC1
Show InChI InChI=1S/C21H29N5O3/c1-28-17-10-15-16(11-18(17)29-2)24-21(25-20(15)22)26-7-5-13(6-8-26)9-19(27)23-12-14-3-4-14/h10-11,13-14H,3-9,12H2,1-2H3,(H,23,27)(H2,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D 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
Show InChI InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)13-7-9-25(10-8-13)20-22-15-12-17(28-4)16(27-3)11-14(15)18(21)23-20/h11-13H,5-10H2,1-4H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227295
PNG
(CHEMBL149997)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)OC
Show InChI InChI=1S/C20H30N4O4/c1-20(2,27-5)12-28-13-6-8-24(9-7-13)19-22-15-11-17(26-4)16(25-3)10-14(15)18(21)23-19/h10-11,13H,6-9,12H2,1-5H3,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226852
PNG
(CHEMBL267164)
Show SMILES COCCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H27N5O4/c1-26-9-6-21-18(25)12-4-7-24(8-5-12)19-22-14-11-16(28-3)15(27-2)10-13(14)17(20)23-19/h10-12H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227301
PNG
(CHEMBL149481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)(C)O
Show InChI InChI=1S/C19H28N4O4/c1-19(2,24)11-27-12-5-7-23(8-6-12)18-21-14-10-16(26-4)15(25-3)9-13(14)17(20)22-18/h9-10,12,24H,5-8,11H2,1-4H3,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227300
PNG
(CHEMBL146844)
Show SMILES COC(C)COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H28N4O4/c1-12(24-2)11-27-13-5-7-23(8-6-13)19-21-15-10-17(26-4)16(25-3)9-14(15)18(20)22-19/h9-10,12-13H,5-8,11H2,1-4H3,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226840
PNG
(CHEMBL6789)
Show SMILES CCCCNC(=O)CC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H31N5O3/c1-4-5-8-23-19(27)11-14-6-9-26(10-7-14)21-24-16-13-18(29-3)17(28-2)12-15(16)20(22)25-21/h12-14H,4-11H2,1-3H3,(H,23,27)(H2,22,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226841
PNG
(CHEMBL266927)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C16H21N5O3/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226843
PNG
(CHEMBL268627)
Show SMILES CCNC(=O)C1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C18H25N5O3/c1-4-20-17(24)11-5-7-23(8-6-11)18-21-13-10-15(26-3)14(25-2)9-12(13)16(19)22-18/h9-11H,4-8H2,1-3H3,(H,20,24)(H2,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226850
PNG
(CHEMBL6431)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCO
Show InChI InChI=1S/C18H25N5O4/c1-26-14-9-12-13(10-15(14)27-2)21-18(22-16(12)19)23-6-3-11(4-7-23)17(25)20-5-8-24/h9-11,24H,3-8H2,1-2H3,(H,20,25)(H2,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
 1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227286
PNG
(CHEMBL149452)
Show SMILES CCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H28N4O4/c1-4-26-9-10-27-13-5-7-23(8-6-13)19-21-15-12-17(25-3)16(24-2)11-14(15)18(20)22-19/h11-13H,4-10H2,1-3H3,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227288
PNG
(CHEMBL150919)
Show SMILES COCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C18H26N4O4/c1-23-8-9-26-12-4-6-22(7-5-12)18-20-14-11-16(25-3)15(24-2)10-13(14)17(19)21-18/h10-12H,4-9H2,1-3H3,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


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


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227293
PNG
(CHEMBL150239)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCCO
Show InChI InChI=1S/C17H24N4O4/c1-23-14-9-12-13(10-15(14)24-2)19-17(20-16(12)18)21-5-3-11(4-6-21)25-8-7-22/h9-11,22H,3-8H2,1-2H3,(H2,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227292
PNG
(CHEMBL149253)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(C)O
Show InChI InChI=1S/C18H26N4O4/c1-11(23)10-26-12-4-6-22(7-5-12)18-20-14-9-16(25-3)15(24-2)8-13(14)17(19)21-18/h8-9,11-12,23H,4-7,10H2,1-3H3,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

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

Similars
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
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50226849
PNG
(CHEMBL266279)
Show SMILES CCCCNC(=O)C1CCCN(C1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H29N5O3/c1-4-5-8-22-19(26)13-7-6-9-25(12-13)20-23-15-11-17(28-3)16(27-2)10-14(15)18(21)24-20/h10-11,13H,4-9,12H2,1-3H3,(H,22,26)(H2,21,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.

J Med Chem 30: 999-1003 (1987)


BindingDB Entry DOI: 10.7270/Q2PC34MG
More data for this
Ligand-Target Pair
Prothrombin


(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

Similars
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50227297
PNG
(CHEMBL147019)
Show SMILES CCOCC(OC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Show InChI InChI=1S/C25H32N4O4/c1-4-32-16-23(17-8-6-5-7-9-17)33-18-10-12-29(13-11-18)25-27-20-15-22(31-3)21(30-2)14-19(20)24(26)28-25/h5-9,14-15,18,23H,4,10-13,16H2,1-3H3,(H2,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

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: