BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'maddirala' and Initial = 'ar'   
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
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250014
PNG
(CHEMBL2324597 | US11208411, Compound 3CIB-PP1)
Show SMILES CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250017
PNG
(CHEMBL4102392 | US11208411, Compound GXJ177)
Show SMILES CC(C)(C)n1nc(Oc2cccc(Br)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16BrN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249997
PNG
(CHEMBL4078124 | US11208411, Compound GXJ230)
Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250000
PNG
(CHEMBL4098707 | US11208411, Compound FUR7-2)
Show SMILES Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C16H13ClF3N5O/c17-9-2-1-3-10(6-9)26-14-11-12(21)22-8-23-13(11)25(24-14)7-15(4-5-15)16(18,19)20/h1-3,6,8H,4-5,7H2,(H2,21,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250103
PNG
(CHEMBL4087915 | US11208411, Compound GXJ184)
Show SMILES CC(C)(C)n1nc(Oc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5O/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250016
PNG
(CHEMBL4086945 | US11208411, Compound LZH118)
Show SMILES CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250002
PNG
(CHEMBL4069991 | US11208411, Compound FUR7-27)
Show SMILES Nc1ncnc2n(CC3CCNCC3(F)F)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H17ClF2N6O/c18-11-2-1-3-12(6-11)27-16-13-14(21)23-9-24-15(13)26(25-16)7-10-4-5-22-8-17(10,19)20/h1-3,6,9-10,22H,4-5,7-8H2,(H2,21,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250015
PNG
(CHEMBL4065764 | US11208411, Compound GXJ186)
Show SMILES CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5S/c1-15(2,3)21-13-11(12(17)18-8-19-13)14(20-21)22-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250006
PNG
(CHEMBL4093769 | US11208411, Compound GXJ237)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H19ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249998
PNG
(CHEMBL4094646 | US11208411, Compound GXJ176)
Show SMILES Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Show InChI InChI=1S/C16H19N5O/c1-10-6-5-7-11(8-10)22-15-12-13(17)18-9-19-14(12)21(20-15)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250003
PNG
(CHEMBL4074754)
Show SMILES Nc1ncnc2n(CC3CCNCC3)cc(Sc3cccc(Cl)c3)c12
Show InChI InChI=1S/C18H20ClN5S/c19-13-2-1-3-14(8-13)25-15-10-24(9-12-4-6-21-7-5-12)18-16(15)17(20)22-11-23-18/h1-3,8,10-12,21H,4-7,9H2,(H2,20,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250009
PNG
(CHEMBL4096137 | US11208411, Compound FUR)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc(Cl)c3)c12
Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12/h1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250011
PNG
(CHEMBL4098582 | US11208411, Compound GXJ276)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H20ClN7/c18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250105
PNG
(CHEMBL4090858)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Sc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H19ClN6S/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249994
PNG
(CHEMBL2324593 | US11208411, Compound CZ75)
Show SMILES CC(C)(C)n1nc(Cc2cc(F)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17F2N5/c1-16(2,3)23-15-13(14(19)20-8-21-15)12(22-23)6-9-4-10(17)7-11(18)5-9/h4-5,7-8H,6H2,1-3H3,(H2,19,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249996
PNG
(CHEMBL4097112 | US11208411, Compound GXJ178)
Show SMILES CC(C)(C)n1nc(Oc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-13-11(12(20)21-8-22-13)14(23-24)25-10-6-4-5-9(7-10)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249999
PNG
(CHEMBL4088534)
Show SMILES Nc1ncnc2n(CC3CCNCC3(F)F)nc(Sc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H17ClF2N6S/c18-11-2-1-3-12(6-11)27-16-13-14(21)23-9-24-15(13)26(25-16)7-10-4-5-22-8-17(10,19)20/h1-3,6,9-10,22H,4-5,7-8H2,(H2,21,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50249995
PNG
(CHEMBL4065140 | US11208411, Compound GXJ229)
Show SMILES CC(C)(C)n1nc(Oc2cc(F)cc(F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H15F2N5O/c1-15(2,3)22-13-11(12(18)19-7-20-13)14(21-22)23-10-5-8(16)4-9(17)6-10/h4-7H,1-3H3,(H2,18,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250013
PNG
(CHEMBL4095218 | US11208411, Compound GXJ261)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Oc3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C17H18ClFN6O/c18-12-7-11(1-2-13(12)19)26-17-14-15(20)22-9-23-16(14)25(24-17)8-10-3-5-21-6-4-10/h1-2,7,9-10,21H,3-6,8H2,(H2,20,22,23)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250005
PNG
(CHEMBL4060191 | US11208411, Compound FUR6-11)
Show SMILES Nc1ncnc2n(CC3CCCNC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H19ClN6O/c18-12-4-1-5-13(7-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-3-2-6-20-8-11/h1,4-5,7,10-11,20H,2-3,6,8-9H2,(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250001
PNG
(CHEMBL4090973 | US11208411, Compound FUR7-30)
Show SMILES CN1CCC(Cn2nc(Oc3cccc(Cl)c3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C18H21ClN6O/c1-24-7-5-12(6-8-24)10-25-17-15(16(20)21-11-22-17)18(23-25)26-14-4-2-3-13(19)9-14/h2-4,9,11-12H,5-8,10H2,1H3,(H2,20,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250104
PNG
(CHEMBL4080665 | US11208411, Compound FUR7-36)
Show SMILES Nc1ncnc2n(CC3CCNC(=O)C3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H17ClN6O2/c18-11-2-1-3-12(7-11)26-17-14-15(19)21-9-22-16(14)24(23-17)8-10-4-5-20-13(25)6-10/h1-3,7,9-10H,4-6,8H2,(H,20,25)(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250007
PNG
(CHEMBL4073069 | US11208411, Compound FUR6-13)
Show SMILES Nc1ncnc2n(CC3CCNC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C16H17ClN6O/c17-11-2-1-3-12(6-11)24-16-13-14(18)20-9-21-15(13)23(22-16)8-10-4-5-19-7-10/h1-3,6,9-10,19H,4-5,7-8H2,(H2,18,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250012
PNG
(CHEMBL4080552 | US11208411, Compound MLC468)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Cc3cc(F)cc(F)c3)c12
Show InChI InChI=1S/C18H20F2N6/c19-13-5-12(6-14(20)8-13)7-15-16-17(21)23-10-24-18(16)26(25-15)9-11-1-3-22-4-2-11/h5-6,8,10-11,22H,1-4,7,9H2,(H2,21,23,24)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 173n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250102
PNG
(CHEMBL4067196 | US11208411, Compound FUR6-12)
Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 191n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250008
PNG
(CHEMBL4068845 | US11208411, Compound FUR7-89)
Show SMILES Nc1ncnc2n(CC3CCOCC3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H18ClN5O2/c18-12-2-1-3-13(8-12)25-17-14-15(19)20-10-21-16(14)23(22-17)9-11-4-6-24-7-5-11/h1-3,8,10-11H,4-7,9H2,(H2,19,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 219n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507951
PNG
(CHEMBL4561506)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C21H26N2O8S/c1-12(25)22-18-20(27)19(26)17(11-24)31-21(18)30-16-9-4-3-8-15(16)13-6-5-7-14(10-13)23-32(2,28)29/h3-10,17-21,23-24,26-27H,11H2,1-2H3,(H,22,25)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250004
PNG
(CHEMBL4088414 | US11208411, Compound FUR6-6)
Show SMILES Nc1ncnc2n(Cc3ccncc3)nc(Oc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H13ClN6O/c18-12-2-1-3-13(8-12)25-17-14-15(19)21-10-22-16(14)24(23-17)9-11-4-6-20-7-5-11/h1-8,10H,9H2,(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 272n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507943
PNG
(CHEMBL4546828)
Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2-c2cc(cc(c2)[N+]([O-])=O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H19NO10/c21-8-14-15(22)16(23)17(24)19(30-14)29-13-4-2-1-3-12(13)9-5-10(18(25)26)7-11(6-9)20(27)28/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15+,16+,17-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507930
PNG
(CHEMBL4439694)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C22H26N2O7/c1-12(26)23-15-7-5-6-14(10-15)16-8-3-4-9-17(16)30-22-19(24-13(2)27)21(29)20(28)18(11-25)31-22/h3-10,18-22,25,28-29H,11H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-,20+,21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507945
PNG
(CHEMBL4434673)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C22H23F3N2O7/c1-11(29)26-17-19(31)18(30)16(10-28)34-20(17)33-15-8-3-2-7-14(15)12-5-4-6-13(9-12)27-21(32)22(23,24)25/h2-9,16-20,28,30-31H,10H2,1H3,(H,26,29)(H,27,32)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507942
PNG
(CHEMBL4527281)
Show SMILES COc1ccc(O)cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C21H25NO8/c1-11(24)22-18-20(27)19(26)17(10-23)30-21(18)29-16-6-4-3-5-13(16)14-9-12(25)7-8-15(14)28-2/h3-9,17-21,23,25-27H,10H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Calmodulin-domain protein kinase 1


(Toxoplasma gondii)		BDBM50250010
PNG
(CHEMBL4069866 | US11208411, Compound FUR7-77)
Show SMILES Cc1cccc(Sc2nn(CC3CCNCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C18H22N6S/c1-12-3-2-4-14(9-12)25-18-15-16(19)21-11-22-17(15)24(23-18)10-13-5-7-20-8-6-13/h2-4,9,11,13,20H,5-8,10H2,1H3,(H2,19,21,22)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 517n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50250014
PNG
(CHEMBL2324597 | US11208411, Compound 3CIB-PP1)
Show SMILES CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18ClN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 607n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507931
PNG
(CHEMBL4469032)
Show SMILES COC(=O)Nc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C22H26N2O8/c1-12(26)23-18-20(28)19(27)17(11-25)32-21(18)31-16-9-4-3-8-15(16)13-6-5-7-14(10-13)24-22(29)30-2/h3-10,17-21,25,27-28H,11H2,1-2H3,(H,23,26)(H,24,29)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507929
PNG
(CHEMBL4555886)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(CO)c1 |r|
Show InChI InChI=1S/C21H25NO7/c1-12(25)22-18-20(27)19(26)17(11-24)29-21(18)28-16-8-3-2-7-15(16)14-6-4-5-13(9-14)10-23/h2-9,17-21,23-24,26-27H,10-11H2,1H3,(H,22,25)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507926
PNG
(CHEMBL4530691)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C21H23NO8/c1-11(24)22-17-19(26)18(25)16(10-23)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(27)28/h2-9,16-19,21,23,25-26H,10H2,1H3,(H,22,24)(H,27,28)/t16-,17-,18+,19-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507928
PNG
(CHEMBL4440300)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H25NO8S/c1-12(24)22-18-20(26)19(25)17(11-23)30-21(18)29-16-9-4-3-8-15(16)13-6-5-7-14(10-13)31(2,27)28/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507917
PNG
(CHEMBL4515623)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C20H23NO7/c1-11(23)21-17-19(26)18(25)16(10-22)28-20(17)27-15-8-3-2-7-14(15)12-5-4-6-13(24)9-12/h2-9,16-20,22,24-26H,10H2,1H3,(H,21,23)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50250016
PNG
(CHEMBL4086945 | US11208411, Compound LZH118)
Show SMILES CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17ClN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 828n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507923
PNG
(CHEMBL4439954)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(OS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C21H25NO9S/c1-12(24)22-18-20(26)19(25)17(11-23)30-21(18)29-16-9-4-3-8-15(16)13-6-5-7-14(10-13)31-32(2,27)28/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50250011
PNG
(CHEMBL4098582 | US11208411, Compound GXJ276)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H20ClN7/c18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11/h1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 901n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ...

J Med Chem 60: 9976-9989 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01192
BindingDB Entry DOI: 10.7270/Q21G0PP0
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507944
PNG
(CHEMBL4550587)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C21H22N2O6/c1-12(25)23-18-20(27)19(26)17(11-24)29-21(18)28-16-8-3-2-7-15(16)14-6-4-5-13(9-14)10-22/h2-9,17-21,24,26-27H,11H2,1H3,(H,23,25)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507920
PNG
(CHEMBL4451678)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H23F3N2O8S/c1-11(28)25-17-19(30)18(29)16(10-27)34-20(17)33-15-8-3-2-7-14(15)12-5-4-6-13(9-12)26-35(31,32)21(22,23)24/h2-9,16-20,26-27,29-30H,10H2,1H3,(H,25,28)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507919
PNG
(CHEMBL4451201)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3NO6/c1-11(27)25-17-19(29)18(28)16(10-26)31-20(17)30-15-8-3-2-7-14(15)12-5-4-6-13(9-12)21(22,23)24/h2-9,16-20,26,28-29H,10H2,1H3,(H,25,27)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507921
PNG
(CHEMBL4522125)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H22FNO6/c1-11(24)22-17-19(26)18(25)16(10-23)28-20(17)27-15-8-3-2-7-14(15)12-5-4-6-13(21)9-12/h2-9,16-20,23,25-26H,10H2,1H3,(H,22,24)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507933
PNG
(CHEMBL4568291)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C21H24N2O7/c1-11(25)23-17-19(27)18(26)16(10-24)30-21(17)29-15-8-3-2-7-14(15)12-5-4-6-13(9-12)20(22)28/h2-9,16-19,21,24,26-27H,10H2,1H3,(H2,22,28)(H,23,25)/t16-,17-,18+,19-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507934
PNG
(CHEMBL4585370)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H23NO8S/c1-29(25,26)20-12-6-4-5-11(9-12)13-7-2-3-8-14(13)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16+,17+,18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507927
PNG
(CHEMBL4463579)
Show SMILES COc1cccc(c1)-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C21H25NO7/c1-12(24)22-18-20(26)19(25)17(11-23)29-21(18)28-16-9-4-3-8-15(16)13-6-5-7-14(10-13)27-2/h3-10,17-21,23,25-26H,11H2,1-2H3,(H,22,24)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507925
PNG
(CHEMBL4461841)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cc(cc(c1)[N+]([O-])=O)C(O)=O |r|
Show InChI InChI=1S/C21H22N2O10/c1-10(25)22-17-19(27)18(26)16(9-24)33-21(17)32-15-5-3-2-4-14(15)11-6-12(20(28)29)8-13(7-11)23(30)31/h2-8,16-19,21,24,26-27H,9H2,1H3,(H,22,25)(H,28,29)/t16-,17-,18+,19-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
BindingDB Entry DOI: 10.7270/Q2Q52SWS
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 94 total )  |  Next  |  Last  >>
Jump to: