Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'ponticello' and Initial = 'gs'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017729 (4-Ethylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*...) Show SMILES CCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C9H14N2O4S3/c1-2-11-7-3-4-17(12,13)9-6(7)5-8(16-9)18(10,14)15/h5,7,11H,2-4H2,1H3,(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50041029 ((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...) Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50041029 ((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...) Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation for 4 min at 37 degree C				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367851 (CHEMBL1788291) Show SMILES CCN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C9H14N2O4S3/c1-2-11-7-3-4-17(12,13)9-6(7)5-8(16-9)18(10,14)15/h5,7,11H,2-4H2,1H3,(H2,10,14,15)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation at 3 degree C				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017728 (7,7-Dioxo-4-propylamino-4,5,6,7-tetrahydro-7lambda...) Show SMILES CCCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S3/c1-2-4-12-8-3-5-18(13,14)10-7(8)6-9(17-10)19(11,15)16/h6,8,12H,2-5H2,1H3,(H2,11,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024220 (7-Oxo-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-sulf...) Show SMILES NS(=O)(=O)c1cc2SCCC(=O)c2s1 Show InChI InChI=1S/C7H7NO3S3/c8-14(10,11)6-3-5-7(13-6)4(9)1-2-12-5/h3H,1-2H2,(H2,8,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017726 (4-Butylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*...) Show SMILES CCCCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-2-3-5-13-9-4-6-19(14,15)11-8(9)7-10(18-11)20(12,16)17/h7,9,13H,2-6H2,1H3,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017732 (4-Methylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...) Show SMILES CNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O4S3/c1-10-6-2-3-16(11,12)8-5(6)4-7(15-8)17(9,13)14/h4,6,10H,2-3H2,1H3,(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024224 (7,7-Dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3...) Show SMILES NS(=O)(=O)c1cc2CCCS(=O)(=O)c2s1 Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-4-5-2-1-3-14(9,10)7(5)13-6/h4H,1-3H2,(H2,8,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024221 (4-Oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulf...) Show SMILES NS(=O)(=O)c1cc2c(SCCC2=O)s1 Show InChI InChI=1S/C7H7NO3S3/c8-14(10,11)6-3-4-5(9)1-2-12-7(4)13-6/h3H,1-2H2,(H2,8,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017731 (4-Amino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-th...) Show SMILES NC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O4S3/c8-5-1-2-15(10,11)7-4(5)3-6(14-7)16(9,12)13/h3,5H,1-2,8H2,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50452418 (CHEMBL2092886) Show SMILES NS(=O)(=O)c1cc2[C@@H](O)CCS(=O)(=O)c2s1 |r| Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation for 4 min at 37 degree C				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50452418 (CHEMBL2092886) Show SMILES NS(=O)(=O)c1cc2[C@@H](O)CCS(=O)(=O)c2s1 |r| Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017727 ((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...) Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1 Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024222 (5-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-...) Show SMILES NS(=O)(=O)c1cc2CC(O)CS(=O)(=O)c2s1 Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-2-4-1-5(9)3-15(10,11)7(4)14-6/h2,5,9H,1,3H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017727 ((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...) Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1 Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fluorescence competition assay employing the fluorescent CA inhibitor d...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017730 (4-Diethylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambd...) Show SMILES CCN(CC)C1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-3-13(4-2)9-5-6-19(14,15)11-8(9)7-10(18-11)20(12,16)17/h7,9H,3-6H2,1-2H3,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024227 (7-Hydroxy-6,7-dihydro-5H-thieno[3,2-b]thiopyran-2-...) Show SMILES NS(=O)(=O)c1cc2SCCC(O)c2s1 Show InChI InChI=1S/C7H9NO3S3/c8-14(10,11)6-3-5-7(13-6)4(9)1-2-12-5/h3-4,9H,1-2H2,(H2,8,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024219 (4,4,7-Trioxo-4,5,6,7-tetrahydro-4lambda*6*-thieno[...) Show SMILES NS(=O)(=O)c1cc2c(s1)C(=O)CCS2(=O)=O Show InChI InChI=1S/C7H7NO5S3/c8-16(12,13)6-3-5-7(14-6)4(9)1-2-15(5,10)11/h3H,1-2H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367483 (CHEMBL1788205) Show SMILES NS(=O)(=O)c1cc2[C@H](O)CCS(=O)(=O)c2s1 |r| Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50367483 (CHEMBL1788205) Show SMILES NS(=O)(=O)c1cc2[C@H](O)CCS(=O)(=O)c2s1 |r| Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50452588 (CHEMBL2092885) Show SMILES Cl.CCN[C@@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C9H14N2O4S3.ClH/c1-2-11-7-3-4-17(12,13)9-6(7)5-8(16-9)18(10,14)15;/h5,7,11H,2-4H2,1H3,(H2,10,14,15);1H/t7-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation at 3 degree C				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024223 (6-Hydroxy-4,4-dioxo-4,5,6,7-tetrahydro-4lambda*6*-...) Show SMILES NS(=O)(=O)c1cc2c(CC(O)CS2(=O)=O)s1 Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)7-2-6-5(14-7)1-4(9)3-15(6,10)11/h2,4,9H,1,3H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024225 (4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-...) Show SMILES NS(=O)(=O)c1cc2C(O)CCSc2s1 Show InChI InChI=1S/C7H9NO3S3/c8-14(10,11)6-3-4-5(9)1-2-12-7(4)13-6/h3,5,9H,1-2H2,(H2,8,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fluorescence competition assay employing the fluorescent CA inhibitor d...				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024218 (7-Hydroxy-4,4-dioxo-4,5,6,7-tetrahydro-4lambda*6*-...) Show SMILES NS(=O)(=O)c1cc2c(s1)C(O)CCS2(=O)=O Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-5-7(14-6)4(9)1-2-15(5,10)11/h3-4,9H,1-2H2,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070791 (4-Amino-1-(4-benzhydryloxy-benzyl)-pyridinium | CH...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H22N2O/c26-23-15-17-27(18-16-23)19-20-11-13-24(14-12-20)28-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,25-26H,19H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50041028 ((R)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...) Show SMILES CC(C)CN[C@@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description 50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation for 4 min at 37 degree C				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024226 (4-Hydroxy-7-oxo-4,5,6,7-tetrahydro-7lambda*4*-thie...) Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)c2s1 Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-3-4-5(9)1-2-14(10)7(4)13-6/h3,5,9H,1-2H2,(H2,8,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070787 (4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridi...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H26N2O/c28-25-17-19-29(20-18-25)21-23-11-14-26(15-12-23)30-27(24-9-5-2-6-10-24)16-13-22-7-3-1-4-8-22/h1-12,14-15,17-20,27-28H,13,16,21H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50024228 (7-Hydroxy-4-oxo-4,5,6,7-tetrahydro-4lambda*4*-thie...) Show SMILES NS(=O)(=O)c1cc2c(s1)C(O)CCS2=O Show InChI InChI=1S/C7H9NO4S3/c8-15(11,12)6-3-5-7(13-6)4(9)1-2-14(5)10/h3-4,9H,1-2H2,(H2,8,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)				J Med Chem 30: 591-7 (1987) BindingDB Entry DOI: 10.7270/Q2KW5GMM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070786 (4-Amino-1-(4-benzyloxy-benzyl)-pyridinium | CHEMBL...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H18N2O/c20-18-10-12-21(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-13,20H,14-15H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070793 ((4-Benzhydryloxy-benzyl)-pyridin-4-yl-amine | CHEM...) Show SMILES C(Nc1ccncc1)c1ccc(OC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H22N2O/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)28-24-13-11-20(12-14-24)19-27-23-15-17-26-18-16-23/h1-18,25H,19H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070790 ((4-Benzyloxy-benzyl)-pyridin-4-yl-amine | CHEMBL47...) Show SMILES C(Nc1ccncc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H18N2O/c1-2-4-17(5-3-1)15-22-19-8-6-16(7-9-19)14-21-18-10-12-20-13-11-18/h1-13H,14-15H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070792 (4-(4-Benzyloxy-benzyl)-phenylamine | CHEMBL45648) Show SMILES Nc1ccc(Cc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H19NO/c21-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)22-15-18-4-2-1-3-5-18/h1-13H,14-15,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070792 (4-(4-Benzyloxy-benzyl)-phenylamine | CHEMBL45648) Show SMILES Nc1ccc(Cc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H19NO/c21-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)22-15-18-4-2-1-3-5-18/h1-13H,14-15,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070787 (4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridi...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C27H26N2O/c28-25-17-19-29(20-18-25)21-23-11-14-26(15-12-23)30-27(24-9-5-2-6-10-24)16-13-22-7-3-1-4-8-22/h1-12,14-15,17-20,27-28H,13,16,21H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070786 (4-Amino-1-(4-benzyloxy-benzyl)-pyridinium | CHEMBL...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C19H18N2O/c20-18-10-12-21(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-13,20H,14-15H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070793 ((4-Benzhydryloxy-benzyl)-pyridin-4-yl-amine | CHEM...) Show SMILES C(Nc1ccncc1)c1ccc(OC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H22N2O/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)28-24-13-11-20(12-14-24)19-27-23-15-17-26-18-16-23/h1-18,25H,19H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070790 ((4-Benzyloxy-benzyl)-pyridin-4-yl-amine | CHEMBL47...) Show SMILES C(Nc1ccncc1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H18N2O/c1-2-4-17(5-3-1)15-22-19-8-6-16(7-9-19)14-21-18-10-12-20-13-11-18/h1-13H,14-15H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070789 (1-(4-Benzyloxy-benzyl)-pyridinium | CHEMBL296280) Show SMILES C(Oc1ccc(C[n+]2ccccc2)cc1)c1ccccc1 Show InChI InChI=1S/C19H18NO/c1-3-7-18(8-4-1)16-21-19-11-9-17(10-12-19)15-20-13-5-2-6-14-20/h1-14H,15-16H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070791 (4-Amino-1-(4-benzhydryloxy-benzyl)-pyridinium | CH...) Show SMILES [NH2+]=c1ccn(Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H22N2O/c26-23-15-17-27(18-16-23)19-20-11-13-24(14-12-20)28-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,25-26H,19H2/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50070788 (CHEMBL48029 | N-(4-(benzyloxy)phenethyl)pyridin-4-...) Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1 Show InChI InChI=1S/C20H20N2O/c1-2-4-18(5-3-1)16-23-20-8-6-17(7-9-20)10-15-22-19-11-13-21-14-12-19/h1-9,11-14H,10,15-16H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.68E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against trypsin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070794 (1-(4-Benzyloxy-benzyl)-piperidin-4-ylamine | CHEMB...) Show SMILES NC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 Show InChI InChI=1S/C19H24N2O/c20-18-10-12-21(13-11-18)14-16-6-8-19(9-7-16)22-15-17-4-2-1-3-5-17/h1-9,18H,10-15,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1697-702 (1999) BindingDB Entry DOI: 10.7270/Q26T0KRN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM15240 (4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...) Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 12: 689-92 (2002) BindingDB Entry DOI: 10.7270/Q2930TQS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50219316 (CHEMBL545353) Show SMILES Cl.Cl.C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1 |r| Show InChI InChI=1S/C28H27F3N6.2ClH/c1-18(19-6-3-2-4-7-19)34-27-33-15-12-24(35-27)23-17-25(20-10-13-32-14-11-20)36-37-26(23)21-8-5-9-22(16-21)28(29,30)31;;/h2-9,12,15-18,20,32H,10-11,13-14H2,1H3,(H,33,34,35);2*1H/t18-;;/m0../s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 12: 689-92 (2002) BindingDB Entry DOI: 10.7270/Q2930TQS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50219323 (CHEMBL161276) Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C27H26F3N7/c1-18(19-6-3-2-4-7-19)33-26-32-11-10-23(34-26)22-17-24(37-14-12-31-13-15-37)35-36-25(22)20-8-5-9-21(16-20)27(28,29)30/h2-11,16-18,31H,12-15H2,1H3,(H,32,33,34)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 12: 689-92 (2002) BindingDB Entry DOI: 10.7270/Q2930TQS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50219315 (CHEMBL161477) Show SMILES C[C@H](Nc1nccc(n1)-c1cc(nnc1-c1cccc(c1)C(F)(F)F)N(C)CCN(C)C)c1ccccc1 Show InChI InChI=1S/C28H30F3N7/c1-19(20-9-6-5-7-10-20)33-27-32-14-13-24(34-27)23-18-25(38(4)16-15-37(2)3)35-36-26(23)21-11-8-12-22(17-21)28(29,30)31/h5-14,17-19H,15-16H2,1-4H3,(H,32,33,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 12: 689-92 (2002) BindingDB Entry DOI: 10.7270/Q2930TQS
					More data for this Ligand-Target Pair

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