Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'montgomery' and Initial = 'da'   

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
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5200 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-12(17-9(3)20)14-10(11-4-5-16-19-11)7-13(18-14)15(21)22/h4-5,8,10,12-14,18H,6-7H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	-41.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5200 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-12(17-9(3)20)14-10(11-4-5-16-19-11)7-13(18-14)15(21)22/h4-5,8,10,12-14,18H,6-7H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	-40.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5195 ((+/-)-(2R,4R,5S,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5201 ((2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O4/c1-8(2)6-12(16-9(3)19)14-10(11-4-5-22-18-11)7-13(17-14)15(20)21/h4-5,8,10,12-14,17H,6-7H2,1-3H3,(H,16,19)(H,20,21)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5195 ((+/-)-(2R,4R,5S,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	260	-37.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5201 ((2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O4/c1-8(2)6-12(16-9(3)19)14-10(11-4-5-22-18-11)7-13(17-14)15(20)21/h4-5,8,10,12-14,17H,6-7H2,1-3H3,(H,16,19)(H,20,21)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5203 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O3/c1-5-10-7-12(14(18)19)16-13(10)11(6-8(2)3)15-9(4)17/h5,8,10-13,16H,1,6-7H2,2-4H3,(H,15,17)(H,18,19)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5198 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)6-11(17-9(3)19)13-10(14-16-4-5-22-14)7-12(18-13)15(20)21/h4-5,8,10-13,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	-36.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5205 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C16H28N2O3/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21)/t12-,13+,14-,15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)4-11(17-9(3)19)14-10(13-6-22-7-16-13)5-12(18-14)15(20)21/h6-8,10-12,14,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5199 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-11(18-9(3)20)13-10(14-16-4-5-17-14)7-12(19-13)15(21)22/h4-5,8,10-13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5198 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)6-11(17-9(3)19)13-10(14-16-4-5-22-14)7-12(18-13)15(20)21/h4-5,8,10-13,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	-36.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5205 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C16H28N2O3/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21)/t12-,13+,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5206 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C14H22F2N2O3/c1-7(2)4-10(17-8(3)19)13-9(6-12(15)16)5-11(18-13)14(20)21/h6-7,9-11,13,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t9-,10-,11+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5203 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O3/c1-5-10-7-12(14(18)19)16-13(10)11(6-8(2)3)15-9(4)17/h5,8,10-13,16H,1,6-7H2,2-4H3,(H,15,17)(H,18,19)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)4-11(17-9(3)19)14-10(13-6-22-7-16-13)5-12(18-14)15(20)21/h6-8,10-12,14,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5196 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)4-11(18-9(3)20)14-10(13-6-16-7-17-13)5-12(19-14)15(21)22/h6-8,10-12,14,19H,4-5H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5196 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)4-11(18-9(3)20)14-10(13-6-16-7-17-13)5-12(19-14)15(21)22/h6-8,10-12,14,19H,4-5H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5206 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C14H22F2N2O3/c1-7(2)4-10(17-8(3)19)13-9(6-12(15)16)5-11(18-13)14(20)21/h6-7,9-11,13,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t9-,10-,11+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5199 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-11(18-9(3)20)13-10(14-16-4-5-17-14)7-12(19-13)15(21)22/h4-5,8,10-13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	830	-34.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5194 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1N)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C12H23N3O3/c1-6(2)4-9(14-7(3)16)11-8(13)5-10(15-11)12(17)18/h6,8-11,15H,4-5,13H2,1-3H3,(H,14,16)(H,17,18)/t8-,9+,10-,11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5192 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)CC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O4/c1-5-13(19)10-7-12(15(20)21)17-14(10)11(6-8(2)3)16-9(4)18/h8,10-12,14,17H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.67E+3	-29.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5190 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OCC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O5/c1-5-22-15(21)10-7-12(14(19)20)17-13(10)11(6-8(2)3)16-9(4)18/h8,10-13,17H,5-7H2,1-4H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5191 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1COC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-8(2)5-11(15-9(3)17)13-10(7-20-4)6-12(16-13)14(18)19/h8,10-13,16H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t10-,11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	-27.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5193 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)NC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	>-24.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Flt3 by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389991 (CHEMBL2071271) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CC(O)=O)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C17H18ClN7O3/c18-11-5-20-17(22-10-4-21-25(6-10)7-12(26)27)24-16(11)23-14-9-2-1-8(3-9)13(14)15(19)28/h1-2,4-6,8-9,13-14H,3,7H2,(H2,19,28)(H,26,27)(H2,20,22,23,24)/t8-,9+,13+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389995 (CHEMBL2071275) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)C2CCNCC2)ncc1Cl |r,c:7| Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-8-25-29(10-13)14-3-5-23-6-4-14)28-19(15)27-17-12-2-1-11(7-12)16(17)18(22)30/h1-2,8-12,14,16-17,23H,3-7H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,16+,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of FGFR2 by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389998 (CHEMBL2071276) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(c2)[C@@H]2CCCNC2)ncc1Cl |r,c:7| Show InChI InChI=1S/C20H25ClN8O/c21-15-9-24-20(26-13-7-25-29(10-13)14-2-1-5-23-8-14)28-19(15)27-17-12-4-3-11(6-12)16(17)18(22)30/h3-4,7,9-12,14,16-17,23H,1-2,5-6,8H2,(H2,22,30)(H2,24,26,27,28)/t11-,12+,14-,16+,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389988 (CHEMBL2071216) Show SMILES CCn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:17| Show InChI InChI=1S/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora A by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389993 (CHEMBL2071273) Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:20| Show InChI InChI=1S/C18H21ClN8O2/c1-21-13(28)8-27-7-11(5-23-27)24-18-22-6-12(19)17(26-18)25-15-10-3-2-9(4-10)14(15)16(20)29/h2-3,5-7,9-10,14-15H,4,8H2,1H3,(H2,20,29)(H,21,28)(H2,22,24,25,26)/t9-,10+,14+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389990 (CHEMBL2071270) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(CCO)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C17H20ClN7O2/c18-12-7-20-17(22-11-6-21-25(8-11)3-4-26)24-16(12)23-14-10-2-1-9(5-10)13(14)15(19)27/h1-2,6-10,13-14,26H,3-5H2,(H2,19,27)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50389975 (CHEMBL2071201) Show SMILES Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16| Show InChI InChI=1S/C16H18BrN7O/c1-24-7-10(5-20-24)21-16-19-6-11(17)15(23-16)22-13-9-3-2-8(4-9)12(13)14(18)25/h2-3,5-9,12-13H,4H2,1H3,(H2,18,25)(H2,19,21,22,23)/t8-,9+,12+,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Lck by TR-FRET analysis				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389989 (CHEMBL2071217) Show SMILES NC(=O)[C@H]1[C@H]2C[C@H](C=C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl |r,c:7| Show InChI InChI=1S/C22H22ClN7O/c23-17-10-25-22(27-16-9-26-30(12-16)11-13-4-2-1-3-5-13)29-21(17)28-19-15-7-6-14(8-15)18(19)20(24)31/h1-7,9-10,12,14-15,18-19H,8,11H2,(H2,24,31)(H2,25,27,28,29)/t14-,15+,18+,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF analysis in presence of 1 mM ATP				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389988 (CHEMBL2071216) Show SMILES CCn1cc(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:17| Show InChI InChI=1S/C17H20ClN7O/c1-2-25-8-11(6-21-25)22-17-20-7-12(18)16(24-17)23-14-10-4-3-9(5-10)13(14)15(19)26/h3-4,6-10,13-14H,2,5H2,1H3,(H2,19,26)(H2,20,22,23,24)/t9-,10+,13+,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells				Bioorg Med Chem Lett 22: 4750-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.067 BindingDB Entry DOI: 10.7270/Q20C4WTF
					More data for this Ligand-Target Pair

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