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Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'perrone' and Initial = 'mh'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50080514
PNG
(3-[(R)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m1/s1
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0.0470n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL 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)
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1 |t:12|
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
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0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226962
PNG
(CHEMBL41224)
Show SMILES CN1C(Cc2cccc(Cl)c12)C1=NCCN1 |t:13|
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0.720n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019855
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226939
PNG
(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1 |t:13|
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226945
PNG
(CHEMBL38406)
Show SMILES CN1C(CCc2ccccc12)C1=NCCN1 |t:13|
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225285
PNG
(CHEBI:3757 | CLONIDINE | Catapres | Catapres-Tts-1...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226961
PNG
(CHEMBL38788)
Show SMILES CCCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226965
PNG
(CHEMBL39254)
Show SMILES CN1C(Cc2cc(Cl)ccc12)C1=NCCN1 |t:13|
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226960
PNG
(CHEMBL41111)
Show SMILES C1CN=C(N1)C1Cc2ccccc2N1 |c:2|
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226937
PNG
(CHEMBL289153)
Show SMILES C(N1C(Cc2ccccc12)C1=NCCN1)c1ccccc1 |t:12|
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226943
PNG
(CHEMBL41171)
Show SMILES CN1c2ccccc2C[C@@]1(C)C1=NCCN1 |t:13|
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226947
PNG
(CHEMBL290853)
Show SMILES CCCCN1C(Cc2ccccc12)C1=NCCN1 |t:15|
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3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226954
PNG
(CHEMBL38660)
Show SMILES CN(CC1=NCCN1)c1ccccc1 |t:3|
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226964
PNG
(CHEMBL41064)
Show SMILES C1CN=C(N1)C1Cc2ccccc2N1c1ccccc1 |c:2|
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226940
PNG
(CHEMBL41456)
Show SMILES C(Cc1ccccc1)N1C(Cc2ccccc12)C1=NCCN1 |t:20|
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226932
PNG
(CHEMBL559829)
Show SMILES Cl.Cc1c(CC2=NCCN2)ccc2ccccc12 |t:4|
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1 |t:14|
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226924
PNG
(CHEMBL545647)
Show SMILES Cl.CC1=C(CC2=NCCN2)Cc2ccccc12 |c:1,t:4|
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226942
PNG
(CHEMBL39286)
Show SMILES [H][C@@]1(C)c2ccccc2N(C)[C@]1([H])C1=NCCN1 |t:15|
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6.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080482
PNG
(4-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-14-3-5-17(10-15(14)9-16)31(27,28)24-18-6-7-25(21(18)26)11-13-8-19(20(22)23)30-12-13/h2-5,8-10,12,18,24H,6-7,11H2,1H3,(H3,22,23)/t18-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1 |t:12|
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226956
PNG
(CHEMBL41861)
Show SMILES CN1C(Cc2cc(Cl)cc(Cl)c12)C1=NCCN1 |t:14|
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226929
PNG
(CHEMBL545646)
Show SMILES Cl.CC1=C(CC2=NCCN2)CCc2ccccc12 |c:1,t:4|
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226944
PNG
(CHEMBL290324)
Show SMILES CSC[C@]1(Cc2ccccc2N1C)C1=NCCN1 |t:15|
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226955
PNG
(CHEMBL37352)
Show SMILES C1CN=C(N1)C1CCc2ccccc2N1 |c:2|
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019855
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|
Show InChI InChI=1S/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080498
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-thiop...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C28H28N4O4S2/c1-36-24-7-5-21-6-8-25(15-23(21)14-24)38(34,35)32(17-20-10-12-37-18-20)26-9-11-31(28(26)33)16-19-3-2-4-22(13-19)27(29)30/h2-8,10,12-15,18,26H,9,11,16-17H2,1H3,(H3,29,30)/t26-/m0/s1
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19n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080503
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-(1H-p...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccn[nH]1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C27H28N6O4S/c1-37-23-7-5-19-6-8-24(15-21(19)14-23)38(35,36)33(17-22-9-11-30-31-22)25-10-12-32(27(25)34)16-18-3-2-4-20(13-18)26(28)29/h2-9,11,13-15,25H,10,12,16-17H2,1H3,(H3,28,29)(H,30,31)/t25-/m0/s1
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21n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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22n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(NAPAMEZOLE | Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50454831
PNG
(NAPAMEZOLE | Napamezole)
Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080475
PNG
(2-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidi...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(CC(N)=O)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C25H27N5O5S/c1-35-20-7-5-17-6-8-21(13-19(17)12-20)36(33,34)30(15-23(26)31)22-9-10-29(25(22)32)14-16-3-2-4-18(11-16)24(27)28/h2-8,11-13,22H,9-10,14-15H2,1H3,(H2,26,31)(H3,27,28)/t22-/m0/s1
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25n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226946
PNG
(CHEMBL288398)
Show SMILES CC(C)N(C[C@]1(Cc2ccccc2N1C)C1=NCCN1)C(C)C |t:17|
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226957
PNG
(CHEMBL43401)
Show SMILES CCOCCN1C(Cc2ccccc12)C1=NCCN1 |t:16|
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080500
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-pyrid...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccn1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C29H29N5O4S/c1-38-25-10-8-21-9-11-26(17-23(21)16-25)39(36,37)34(19-24-7-2-3-13-32-24)27-12-14-33(29(27)35)18-20-5-4-6-22(15-20)28(30)31/h2-11,13,15-17,27H,12,14,18-19H2,1H3,(H3,30,31)/t27-/m0/s1
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31n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226928
PNG
(CHEMBL553439)
Show SMILES Cl.CC(C1=NCCN1)C1=Cc2ccccc2CC1 |t:2,8|
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1482-9 (1987)


BindingDB Entry DOI: 10.7270/Q2WS8WGP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080496
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-thiop...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1cccs1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C28H28N4O4S2/c1-36-23-9-7-20-8-10-25(16-22(20)15-23)38(34,35)32(18-24-6-3-13-37-24)26-11-12-31(28(26)33)17-19-4-2-5-21(14-19)27(29)30/h2-10,13-16,26H,11-12,17-18H2,1H3,(H3,29,30)/t26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226958
PNG
(CHEMBL38579)
Show SMILES COC[C@]1(Cc2ccccc2N1C)C1=NCCN1 |t:15|
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080501
PNG
(3-{(S)-3-[Benzyl-(7-methoxy-naphthalene-2-sulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C30H30N4O4S/c1-38-26-12-10-23-11-13-27(18-25(23)17-26)39(36,37)34(20-21-6-3-2-4-7-21)28-14-15-33(30(28)35)19-22-8-5-9-24(16-22)29(31)32/h2-13,16-18,28H,14-15,19-20H2,1H3,(H3,31,32)/t28-/m0/s1
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41n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080510
PNG
(3-{(S)-3-[Ethyl-(7-methoxy-naphthalene-2-sulfonyl)...)
Show SMILES CCN([C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O)S(=O)(=O)c1ccc2ccc(OC)cc2c1
Show InChI InChI=1S/C25H28N4O4S/c1-3-29(34(31,32)22-10-8-18-7-9-21(33-2)14-20(18)15-22)23-11-12-28(25(23)30)16-17-5-4-6-19(13-17)24(26)27/h4-10,13-15,23H,3,11-12,16H2,1-2H3,(H3,26,27)/t23-/m0/s1
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43n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226967
PNG
(CHEMBL41756)
Show SMILES Cn1c(CC2=NCCN2)cc2ccccc12 |t:4|
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 30: 1555-62 (1987)


BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13280
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1
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47n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
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