BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'matile' and Initial = 'h'   
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
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50305505
PNG
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)
Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)|
Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

Bioorg Med Chem Lett 20: 563-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.088
BindingDB Entry DOI: 10.7270/Q2RJ4JKQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50201426
PNG
(dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-c...)
Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:14.15,16.18,12.14,19.21,wU:10.10,5.8,2.1,TLB:17:12:15.16.18:20,THB:11:10:15.16.18:20,9:10:15.16.18:20,10:12:15:18.19.20,10:19:15:13.17.12,TEB:17:16:20:13.12.10,18:19:13:15.16.17,(13.45,-13.89,;13.42,-12.35,;12.07,-11.6,;10.75,-12.4,;9.41,-11.66,;9.37,-10.12,;10.69,-9.32,;12.04,-10.06,;9.17,-8.58,;7.66,-8.3,;6.92,-9.66,;7.98,-10.78,;5.82,-10.73,;4.59,-9.98,;4.01,-8.7,;2.26,-8.74,;3.61,-9.51,;4.2,-10.91,;4.73,-8.39,;6.34,-8.26,;5.06,-7.64,)|
Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hERG by patch clamp assay

Bioorg Med Chem Lett 17: 1260-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.007
BindingDB Entry DOI: 10.7270/Q2N017B8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50201425
PNG
(2-({dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1...)
Show SMILES NC(=O)CNC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:18.19,20.22,16.18,23.25,wU:14.14,9.12,6.5,TLB:21:16:19.20.22:24,THB:15:14:19.20.22:24,13:14:19.20.22:24,14:16:19:22.23.24,14:23:19:17.21.16,TEB:21:20:24:17.16.14,22:23:17:19.20.21,(25.77,-11.15,;27.09,-10.36,;28.44,-11.11,;27.07,-8.82,;25.73,-8.06,;25.71,-6.52,;24.36,-5.77,;23.04,-6.56,;21.7,-5.81,;21.68,-4.27,;23,-3.47,;24.34,-4.23,;21.49,-2.73,;19.98,-2.44,;19.23,-3.79,;20.28,-4.92,;18.12,-4.85,;16.9,-4.09,;16.32,-2.81,;14.58,-2.84,;15.92,-3.62,;16.5,-5.02,;17.05,-2.51,;18.66,-2.39,;17.38,-1.76,)|
Show InChI InChI=1S/C19H30N2O4/c20-17(22)11-21-10-12-1-3-18(4-2-12)23-19(25-24-18)15-6-13-5-14(8-15)9-16(19)7-13/h12-16,21H,1-11H2,(H2,20,22)/t12-,13?,14?,15?,16?,18+,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hERG by patch clamp assay

Bioorg Med Chem Lett 17: 1260-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.007
BindingDB Entry DOI: 10.7270/Q2N017B8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50305505
PNG
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)
Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)|
Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 20: 563-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.088
BindingDB Entry DOI: 10.7270/Q2RJ4JKQ
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408763
PNG
(CHEMBL343728)
Show SMILES CCN(CC)CCCC(C)Nc1c(C)cnc2cc(Cl)ccc12
Show InChI InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-15(4)22-19-14(3)13-21-18-12-16(20)9-10-17(18)19/h9-10,12-13,15H,5-8,11H2,1-4H3,(H,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408762
PNG
(DESETHYLCHLOROQUINE | Desethyl chloroquine)
Show SMILES CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM23300
PNG
(4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...)
Show SMILES Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50305505
PNG
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)
Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)|
Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 20: 563-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.088
BindingDB Entry DOI: 10.7270/Q2RJ4JKQ
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408770
PNG
(CHEMBL143042 | TCMDC-124246)
Show SMILES CCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408760
PNG
(CHEMBL139984)
Show SMILES CCN(CC)CC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C16H22ClN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408771
PNG
(CHEMBL344599)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Br)ccc12
Show InChI InChI=1S/C18H26BrN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408766
PNG
(CHEMBL342499)
Show SMILES CCC(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C19H27ClN2/c1-4-15(5-2)8-6-7-14(3)22-18-11-12-21-19-13-16(20)9-10-17(18)19/h9-15H,4-8H2,1-3H3,(H,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408768
PNG
(CHEMBL423184)
Show SMILES CCN(CC)CCCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C19H28ClN3/c1-4-23(5-2)13-7-6-8-15(3)22-18-11-12-21-19-14-16(20)9-10-17(18)19/h9-12,14-15H,4-8,13H2,1-3H3,(H,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408764
PNG
(CHEMBL143439)
Show SMILES CCNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C11H11ClN2/c1-2-13-10-5-6-14-11-7-8(12)3-4-9(10)11/h3-7H,2H2,1H3,(H,13,14)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408761
PNG
(CHEMBL143522)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C18H26N4O2/c1-4-21(5-2)12-6-7-14(3)20-17-10-11-19-18-13-15(22(23)24)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408769
PNG
(CHEMBL142884)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2ccccc12
Show InChI InChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)20-18-12-13-19-17-11-7-6-10-16(17)18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408765
PNG
(CHEMBL143331)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2ccc(Cl)cc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50408767
PNG
(CHEMBL143177)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(N)ccc12
Show InChI InChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>2.50E+6n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of hematin polymerization

J Med Chem 42: 4630-9 (1999)


BindingDB Entry DOI: 10.7270/Q2DV1M34
More data for this
Ligand-Target Pair