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Compile Data Set for Download or QSAR

Found 56 hits from De Novo Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099623
PNG
(4-[2-(4,4-Dimethyl-pent-1-ynyl)-cyclopropyl]-1H-im...)
Show SMILES CC(C)(C)CC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C13H18N2/c1-13(2,3)6-4-5-10-7-11(10)12-8-14-9-15-12/h8-11H,6-7H2,1-3H3,(H,14,15)
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0.180n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099622
PNG
(1-Cyclohexylmethyl-3-[2-(1H-imidazol-4-yl)-cyclopr...)
Show SMILES [NH3+]C(CC1CCCCC1)C=CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/p+1
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0.400n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175545
PNG
(CHEMBL197685 | N-Hydroxycarbamoylmethyl-4-trifluor...)
Show SMILES ONC(=O)CNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-1-6(2-4-7)9(17)14-5-8(16)15-18/h1-4,18H,5H2,(H,14,17)(H,15,16)
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3n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175561
PNG
(CHEMBL198988 | N-Hydroxy-3-(4-trifluoromethyl-benz...)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H10F3NO4S/c11-10(12,13)7-1-3-8(4-2-7)19(17,18)6-5-9(15)14-16/h1-4,16H,5-6H2,(H,14,15)
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3n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175531
PNG
(CHEMBL199156 | N-Hydroxy-2-(4-trifluoromethyl-benz...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C9H9F3N2O4S/c10-9(11,12)6-1-3-7(4-2-6)19(17,18)13-5-8(15)14-16/h1-4,13,16H,5H2,(H,14,15)
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3n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175544
PNG
(CHEMBL198664 | N-Hydroxy-4-oxo-4-(4-trifluoromethy...)
Show SMILES ONC(=O)CCC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H10F3NO3/c12-11(13,14)8-3-1-7(2-4-8)9(16)5-6-10(17)15-18/h1-4,18H,5-6H2,(H,15,17)
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3n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50071496
PNG
(CHEMBL73053 | N-(4-Chloro-benzyl)-2-[4-(1H-imidazo...)
Show SMILES Clc1ccc(CNC(=N)Cc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C19H19ClN4/c20-17-7-5-16(6-8-17)11-23-19(21)10-15-3-1-14(2-4-15)9-18-12-22-13-24-18/h1-8,12-13H,9-11H2,(H2,21,23)(H,22,24)
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7n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175529
PNG
(CHEMBL383560 | N-Hydroxy-3-[4-(pyridin-4-yloxy)-be...)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C14H14N2O5S/c17-14(16-18)7-10-22(19,20)13-3-1-11(2-4-13)21-12-5-8-15-9-6-12/h1-6,8-9,18H,7,10H2,(H,16,17)
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8.20n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175550
PNG
(CHEMBL198377 | N-Hydroxy-4-oxo-4-[4-(pyridin-4-ylo...)
Show SMILES ONC(=O)CCC(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C15H14N2O4/c18-14(5-6-15(19)17-20)11-1-3-12(4-2-11)21-13-7-9-16-10-8-13/h1-4,7-10,20H,5-6H2,(H,17,19)
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8.20n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175541
PNG
(CHEMBL438261 | N-Hydroxycarbamoylmethyl-4-(pyridin...)
Show SMILES ONC(=O)CNC(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O4/c18-13(17-20)9-16-14(19)10-1-3-11(4-2-10)21-12-5-7-15-8-6-12/h1-8,20H,9H2,(H,16,19)(H,17,18)
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8.20n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175557
PNG
(CHEMBL194570 | N-Hydroxy-2-[4-(pyridin-4-yloxy)-be...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C13H13N3O5S/c17-13(16-18)9-15-22(19,20)12-3-1-10(2-4-12)21-11-5-7-14-8-6-11/h1-8,15,18H,9H2,(H,16,17)
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8.20n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050183
PNG
((4-Iodo-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)...)
Show SMILES Ic1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16IN3O2/c15-12-5-3-11(4-6-12)8-17-14(19)20-7-1-2-13-9-16-10-18-13/h3-6,9-10H,1-2,7-8H2,(H,16,18)(H,17,19)
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12n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50099624
PNG
((4-Chloro-phenyl)-acetic acid 3-(1H-imidazol-4-yl)...)
Show SMILES Clc1ccc(CC(=O)OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H15ClN2O2/c15-12-5-3-11(4-6-12)8-14(18)19-7-1-2-13-9-16-10-17-13/h3-6,9-10H,1-2,7-8H2,(H,16,17)
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14n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11328
PNG
(CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
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33n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175547
PNG
(CHEMBL198048 | N-Hydroxycarbamoylmethyl-4-methoxy-...)
Show SMILES COc1ccc(cc1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C10H12N2O4/c1-16-8-4-2-7(3-5-8)10(14)11-6-9(13)12-15/h2-5,15H,6H2,1H3,(H,11,14)(H,12,13)
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33n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175551
PNG
(CHEMBL366010 | N-Hydroxy-4-(4-methoxy-phenyl)-4-ox...)
Show SMILES COc1ccc(cc1)C(=O)CCC(=O)NO
Show InChI InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)10(13)6-7-11(14)12-15/h2-5,15H,6-7H2,1H3,(H,12,14)
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33n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175543
PNG
(CHEMBL198662 | N-Hydroxy-3-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCC(=O)NO
Show InChI InChI=1S/C10H13NO5S/c1-16-8-2-4-9(5-3-8)17(14,15)7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12)
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33n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175540
PNG
(4-(4-Chloro-phenoxy)-N-hydroxycarbamoylmethyl-benz...)
Show SMILES ONC(=O)CNC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H13ClN2O4/c16-11-3-7-13(8-4-11)22-12-5-1-10(2-6-12)15(20)17-9-14(19)18-21/h1-8,21H,9H2,(H,17,20)(H,18,19)
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70n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175527
PNG
(2-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-N-hy...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O5S/c15-10-1-3-11(4-2-10)22-12-5-7-13(8-6-12)23(20,21)16-9-14(18)17-19/h1-8,16,19H,9H2,(H,17,18)
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70n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175554
PNG
(4-[4-(4-Chloro-phenoxy)-phenyl]-N-hydroxy-4-oxo-bu...)
Show SMILES ONC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H14ClNO4/c17-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15(19)9-10-16(20)18-21/h1-8,21H,9-10H2,(H,18,20)
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70n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175536
PNG
(3-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-N-hydroxy...)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H14ClNO5S/c16-11-1-3-12(4-2-11)22-13-5-7-14(8-6-13)23(20,21)10-9-15(18)17-19/h1-8,19H,9-10H2,(H,17,18)
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70n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175546
PNG
(CHEMBL373285 | N-Hydroxy-2-[4-(4-imidazol-1-yl-phe...)
Show SMILES ONC(=O)CNS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C16H21N5O5S/c22-16(19-23)11-18-27(24,25)21-8-5-15(6-9-21)26-14-3-1-13(2-4-14)20-10-7-17-12-20/h1-4,7,10,12,15,18,23H,5-6,8-9,11H2,(H,19,22)
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224n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175539
PNG
(CHEMBL198393 | N-Hydroxy-3-[4-(4-imidazol-1-yl-phe...)
Show SMILES ONC(=O)CCS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H22N4O5S/c22-17(19-23)7-12-27(24,25)21-9-5-16(6-10-21)26-15-3-1-14(2-4-15)20-11-8-18-13-20/h1-4,8,11,13,16,23H,5-7,9-10,12H2,(H,19,22)
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224n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175530
PNG
(4-(4-Imidazol-1-yl-phenoxy)-piperidine-1-carboxyli...)
Show SMILES ONC(=O)CNC(=O)N1CCC(CC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H21N5O4/c23-16(20-25)11-19-17(24)21-8-5-15(6-9-21)26-14-3-1-13(2-4-14)22-10-7-18-12-22/h1-4,7,10,12,15,25H,5-6,8-9,11H2,(H,19,24)(H,20,23)
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224n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175538
PNG
(CHEMBL372377 | N-Hydroxy-4-[4-(4-imidazol-1-yl-phe...)
Show SMILES ONC(=O)CCC(=O)N1CCC(CC1)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C18H22N4O4/c23-17(20-25)5-6-18(24)21-10-7-16(8-11-21)26-15-3-1-14(2-4-15)22-12-9-19-13-22/h1-4,9,12-13,16,25H,5-8,10-11H2,(H,20,23)
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224n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175534
PNG
(CHEMBL370842 | N-Hydroxy-3-(7-oxo-7,8-dihydro-6H-q...)
Show SMILES ONC(=O)CCS(=O)(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C12H14N2O5S/c15-10-5-4-9-2-1-3-12(14(9)8-10)20(18,19)7-6-11(16)13-17/h1-4,17H,5-8H2,(H,13,16)
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n/an/a 1.30n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175564
PNG
(CHEMBL198634 | N-Hydroxy-2-(7-oxo-7,8-dihydro-6H-q...)
Show SMILES ONC(=O)CNS(=O)(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C11H13N3O5S/c15-9-5-4-8-2-1-3-11(14(8)7-9)20(18,19)12-6-10(16)13-17/h1-4,12,17H,5-7H2,(H,13,16)
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n/an/a 1.30n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175542
PNG
(7-Oxo-7,8-dihydro-6H-quinolizine-4-carboxylic acid...)
Show SMILES ONC(=O)CNC(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C12H13N3O4/c16-9-5-4-8-2-1-3-10(15(8)7-9)12(18)13-6-11(17)14-19/h1-4,19H,5-7H2,(H,13,18)(H,14,17)
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n/an/a 1.30n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175528
PNG
(CHEMBL198227 | N-Hydroxy-4-oxo-4-(7-oxo-7,8-dihydr...)
Show SMILES ONC(=O)CCC(=O)C1=CC=CC2=CCC(=O)CN12
Show InChI InChI=1S/C13H14N2O4/c16-10-5-4-9-2-1-3-11(15(9)8-10)12(17)6-7-13(18)14-19/h1-4,19H,5-8H2,(H,14,18)
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n/an/a 3n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175556
PNG
(2-[4-(4-Fluoro-2-methyl-benzyloxy)-benzenesulfonyl...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C16H17FN2O5S/c1-11-8-13(17)3-2-12(11)10-24-14-4-6-15(7-5-14)25(22,23)18-9-16(20)19-21/h2-8,18,21H,9-10H2,1H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175559
PNG
(4-[4-(4-Fluoro-2-methyl-benzyloxy)-phenyl]-N-hydro...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)C(=O)CCC(=O)NO
Show InChI InChI=1S/C18H18FNO4/c1-12-10-15(19)5-2-14(12)11-24-16-6-3-13(4-7-16)17(21)8-9-18(22)20-23/h2-7,10,23H,8-9,11H2,1H3,(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175532
PNG
(3-[4-(4-Fluoro-2-methyl-benzyloxy)-benzenesulfonyl...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)CCC(=O)NO
Show InChI InChI=1S/C17H18FNO5S/c1-12-10-14(18)3-2-13(12)11-24-15-4-6-16(7-5-15)25(22,23)9-8-17(20)19-21/h2-7,10,21H,8-9,11H2,1H3,(H,19,20)
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n/an/a 10n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175553
PNG
(4-(4-Fluoro-2-methyl-benzyloxy)-N-hydroxycarbamoyl...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C17H17FN2O4/c1-11-8-14(18)5-2-13(11)10-24-15-6-3-12(4-7-15)17(22)19-9-16(21)20-23/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)
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n/an/a 10n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175549
PNG
(CHEMBL198055 | N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl...)
Show SMILES ONC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H15NO4/c18-15(10-11-16(19)17-20)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,20H,10-11H2,(H,17,19)
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n/an/a 22n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175548
PNG
(CHEMBL198778 | N-Hydroxy-2-(4-phenoxy-benzenesulfo...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O5S/c17-14(16-18)10-15-22(19,20)13-8-6-12(7-9-13)21-11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 22n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175558
PNG
(CHEMBL198543 | N-Hydroxycarbamoylmethyl-4-phenoxy-...)
Show SMILES ONC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O4/c18-14(17-20)10-16-15(19)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9,20H,10H2,(H,16,19)(H,17,18)
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n/an/a 22n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175565
PNG
(CHEMBL196460 | N-Hydroxy-3-(4-phenoxy-benzenesulfo...)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H15NO5S/c17-15(16-18)10-11-22(19,20)14-8-6-13(7-9-14)21-12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,16,17)
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n/an/a 22n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175537
PNG
(CHEMBL383801 | N-Hydroxy-2-(4-prop-1-ynyloxy-benze...)
Show SMILES CC#COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C11H12N2O5S/c1-2-7-18-9-3-5-10(6-4-9)19(16,17)12-8-11(14)13-15/h3-6,12,15H,8H2,1H3,(H,13,14)
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n/an/a 121n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175552
PNG
(CHEMBL194243 | N-Hydroxy-4-oxo-4-(4-prop-1-ynyloxy...)
Show SMILES CC#COc1ccc(cc1)C(=O)CCC(=O)NO
Show InChI InChI=1S/C13H13NO4/c1-2-9-18-11-5-3-10(4-6-11)12(15)7-8-13(16)14-17/h3-6,17H,7-8H2,1H3,(H,14,16)
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n/an/a 121n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175562
PNG
(CHEMBL371643 | N-Hydroxycarbamoylmethyl-4-prop-1-y...)
Show SMILES CC#COc1ccc(cc1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C12H12N2O4/c1-2-7-18-10-5-3-9(4-6-10)12(16)13-8-11(15)14-17/h3-6,17H,8H2,1H3,(H,13,16)(H,14,15)
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n/an/a 121n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175563
PNG
(CHEMBL197729 | N-Hydroxy-3-(4-prop-1-ynyloxy-benze...)
Show SMILES CC#COc1ccc(cc1)S(=O)(=O)CCC(=O)NO
Show InChI InChI=1S/C12H13NO5S/c1-2-8-18-10-3-5-11(6-4-10)19(16,17)9-7-12(14)13-15/h3-6,15H,7,9H2,1H3,(H,13,14)
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n/an/a 121n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175560
PNG
(4-(4-Butoxy-phenyl)-N-hydroxy-4-oxo-butyramide | C...)
Show SMILES CCCCOc1ccc(cc1)C(=O)CCC(=O)NO
Show InChI InChI=1S/C14H19NO4/c1-2-3-10-19-12-6-4-11(5-7-12)13(16)8-9-14(17)15-18/h4-7,18H,2-3,8-10H2,1H3,(H,15,17)
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n/an/a 920n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175535
PNG
(2-(4-Butoxy-benzenesulfonylamino)-N-hydroxy-acetam...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,2-3,8-9H2,1H3,(H,14,15)
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n/an/a 920n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175533
PNG
(3-(4-Butoxy-benzenesulfonyl)-N-hydroxy-propionamid...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)CCC(=O)NO
Show InChI InChI=1S/C13H19NO5S/c1-2-3-9-19-11-4-6-12(7-5-11)20(17,18)10-8-13(15)14-16/h4-7,16H,2-3,8-10H2,1H3,(H,14,15)
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n/an/a 920n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50175555
PNG
(4-Butoxy-N-hydroxycarbamoylmethyl-benzamide | CHEM...)
Show SMILES CCCCOc1ccc(cc1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C13H18N2O4/c1-2-3-8-19-11-6-4-10(5-7-11)13(17)14-9-12(16)15-18/h4-7,18H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
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n/an/a 920n/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071197
PNG
(4-(4-Phenyl-butyl)-1H-imidazole | CHEMBL296450)
Show SMILES C(CCc1ccccc1)Cc1cnc[nH]1
Show InChI InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)
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n/an/an/a 25.1n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50409216
PNG
(CHEMBL150701)
Show SMILES C(Cc1cnc[nH]1)C1CCNCC1
Show InChI InChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)
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n/an/an/a 3.98n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50407372
PNG
(CHEMBL44220)
Show SMILES CNC(=S)NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C10H18N4S/c1-11-10(15)13-6-4-2-3-5-9-7-12-8-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,11,13,15)
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n/an/an/a 10n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50409217
PNG
(CHEMBL45056)
Show SMILES Clc1ccc(Cc2noc(CCCc3cnc[nH]3)n2)cc1
Show InChI InChI=1S/C15H15ClN4O/c16-12-6-4-11(5-7-12)8-14-19-15(21-20-14)3-1-2-13-9-17-10-18-13/h4-7,9-10H,1-3,8H2,(H,17,18)
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n/an/an/a 7.94n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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n/an/an/a 5.01n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


Article DOI: 10.1021/jm001109k
BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
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