Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'kato' and Initial = 'r'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM719 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.0880	-59.7	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM718 ((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...) Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r| Show InChI InChI=1S/C33H39N3O5S/c1-5-24-25(16-11-17-27(24)37)30(39)35-26(18-22-13-7-6-8-14-22)28(38)32(41)36-20-42-33(3,4)29(36)31(40)34-19-23-15-10-9-12-21(23)2/h6-17,26,28-29,37-38H,5,18-20H2,1-4H3,(H,34,40)(H,35,39)/t26-,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	-58.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM717 ((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl |r| Show InChI InChI=1S/C31H34ClN3O5S/c1-19-22(13-9-15-25(19)36)28(38)34-24(16-20-10-5-4-6-11-20)26(37)30(40)35-18-41-31(2,3)27(35)29(39)33-17-21-12-7-8-14-23(21)32/h4-15,24,26-27,36-37H,16-18H2,1-3H3,(H,33,39)(H,34,38)/t24-,26-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	-56.6	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.330	-56.3	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21279 (1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...) Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM579 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...) Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.740	-54.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM712 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-52.6	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123685 (4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl...) Show SMILES Clc1ccc(cc1)-c1c(Br)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H18BrCl3N4O/c22-18-19(21(30)27-28-10-2-1-3-11-28)26-29(17-9-8-15(24)12-16(17)25)20(18)13-4-6-14(23)7-5-13/h4-9,12H,1-3,10-11H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM715 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...) Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C29H39N3O5S/c1-7-19-20(14-11-15-22(19)33)25(35)30-21(16-18-12-9-8-10-13-18)23(34)27(37)32-17-38-29(5,6)24(32)26(36)31-28(2,3)4/h8-15,21,23-24,33-34H,7,16-17H2,1-6H3,(H,30,35)(H,31,36)/t21-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.24	-51.4	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123690 (1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-met...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H24Cl2N4O2/c1-15-21(23(30)27-28-12-4-3-5-13-28)26-29(20-11-8-17(24)14-19(20)25)22(15)16-6-9-18(31-2)10-7-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM714 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.14	-49.2	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123688 (4-Bromo-1-(2,4-dichloro-phenyl)-5-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-c1c(Br)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C23H23BrCl2N4O2/c1-32-17-9-6-15(7-10-17)22-20(24)21(23(31)28-29-12-4-2-3-5-13-29)27-30(22)19-11-8-16(25)14-18(19)26/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123693 (4-Bromo-1-(2-chloro-phenyl)-5-(4-methoxy-phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c(Br)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22BrClN4O2/c1-30-16-11-9-15(10-12-16)21-19(23)20(22(29)26-27-13-5-2-6-14-27)25-28(21)18-8-4-3-7-17(18)24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123689 (1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-met...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1 Show InChI InChI=1S/C24H26Cl2N4O2/c1-16-22(24(31)28-29-13-5-3-4-6-14-29)27-30(21-12-9-18(25)15-20(21)26)23(16)17-7-10-19(32-2)11-8-17/h7-12,15H,3-6,13-14H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123691 (5-Benzo[1,3]dioxol-5-yl-1-(2,4-dichloro-phenyl)-4-...) Show SMILES Cc1c(nn(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H22Cl2N4O3/c1-14-21(23(30)27-28-9-3-2-4-10-28)26-29(18-7-6-16(24)12-17(18)25)22(14)15-5-8-19-20(11-15)32-13-31-19/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123684 (1-(2-Chloro-phenyl)-5-(4-methoxy-phenyl)-4-methyl-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H25ClN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM716 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C30H33N3O5S/c1-19-9-6-7-12-22(19)16-31-29(37)25-17-39-18-33(25)30(38)27(35)24(15-21-10-4-3-5-11-21)32-28(36)23-13-8-14-26(34)20(23)2/h3-14,24-25,27,34-35H,15-18H2,1-2H3,(H,31,37)(H,32,36)/t24-,25-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.91	-47.8	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123692 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyr...) Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123683 (1-(2-Chloro-phenyl)-4-fluoro-5-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(cc1)-c1c(F)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22ClFN4O2/c1-30-16-11-9-15(10-12-16)21-19(24)20(22(29)26-27-13-5-2-6-14-27)25-28(21)18-8-4-3-7-17(18)23/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM708 ((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C28H37N3O5S/c1-18-10-9-11-19(2)25(18)36-15-23(32)29-21(14-20-12-7-6-8-13-20)24(33)27(35)31-17-37-16-22(31)26(34)30-28(3,4)5/h6-13,21-22,24,33H,14-17H2,1-5H3,(H,29,32)(H,30,34)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21.7	-45.5	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM713 ((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C26H33N3O5S/c1-16-18(11-8-12-21(16)30)23(32)27-19(13-17-9-6-5-7-10-17)22(31)25(34)29-15-35-14-20(29)24(33)28-26(2,3)4/h5-12,19-20,22,30-31H,13-15H2,1-4H3,(H,27,32)(H,28,33)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24.9	-45.1	n/a	n/a	n/a	n/a	n/a	6.0	37
Japan Energy Corporation					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...				J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123687 (1-(2-Fluoro-phenyl)-5-(4-methoxy-phenyl)-4-methyl-...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1F)C(=O)NN1CCCCC1 Show InChI InChI=1S/C23H25FN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123694 (1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-met...) Show SMILES Cc1c(nn(c1-c1ccc(O)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123682 (1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-met...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCN1CCCC1CCN Show InChI InChI=1S/C26H31Cl2N5O2/c1-17-24(26(34)30-13-15-32-14-3-4-20(32)11-12-29)31-33(23-10-7-19(27)16-22(23)28)25(17)18-5-8-21(35-2)9-6-18/h5-10,16,20H,3-4,11-15,29H2,1-2H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50123686 (5-(4-Methoxy-phenyl)-1-(2-methoxy-phenyl)-4-methyl...) Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccccc1OC)C(=O)NN1CCCCC1 Show InChI InChI=1S/C24H28N4O3/c1-17-22(24(29)26-27-15-7-4-8-16-27)25-28(20-9-5-6-10-21(20)31-3)23(17)18-11-13-19(30-2)14-12-18/h5-6,9-14H,4,7-8,15-16H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1				J Med Chem 46: 642-5 (2003) Article DOI: 10.1021/jm020157x BindingDB Entry DOI: 10.7270/Q27M079X
					More data for this Ligand-Target Pair
Sphingomyelinase C (Bacillus cereus)	BDBM248063 (SMY-540) Show SMILES CCCCCC(=O)N[C@@H](COCc1cccc(n1)-c1ccccn1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	-34.9	800	n/a	n/a	n/a	n/a	7.5	37
Tokushima Bunri University					Assay Description Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...				J Enzyme Inhib Med Chem 29: 303-10 (2014) Article DOI: 10.3109/14756366.2013.777717 BindingDB Entry DOI: 10.7270/Q2NV9H50
					More data for this Ligand-Target Pair
Sphingomyelinase C (Bacillus cereus)	BDBM248061 (SMY-471) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COCc1cccc(n1)-c1ccccn1 |r| Show InChI InChI=1S/C29H45N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-29(33)26(30)24-34-23-25-18-17-20-28(32-25)27-19-15-16-22-31-27/h14-22,26,29,33H,2-13,23-24,30H2,1H3/b21-14+/t26-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	-33.0	900	n/a	n/a	n/a	n/a	7.5	37
Tokushima Bunri University					Assay Description Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...				J Enzyme Inhib Med Chem 29: 303-10 (2014) Article DOI: 10.3109/14756366.2013.777717 BindingDB Entry DOI: 10.7270/Q2NV9H50
					More data for this Ligand-Target Pair
Sphingomyelinase C (Bacillus cereus)	BDBM248057 (RY221B-a) Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COCc1cccc(n1)-c1ccccn1)NC(=O)CCCCC |r| Show InChI InChI=1S/C35H55N3O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-25-34(39)33(38-35(40)26-17-6-4-2)29-41-28-30-22-21-24-32(37-30)31-23-19-20-27-36-31/h18-25,27,33-34,39H,3-17,26,28-29H2,1-2H3,(H,38,40)/b25-18+/t33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	-31.4	1.20E+3	n/a	n/a	n/a	n/a	7.5	37
Tokushima Bunri University					Assay Description Briefly, Bc-SMase (50 ng/ml) was treated at 37 °C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mix...				J Enzyme Inhib Med Chem 29: 303-10 (2014) Article DOI: 10.3109/14756366.2013.777717 BindingDB Entry DOI: 10.7270/Q2NV9H50
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-2 (Homo sapiens (Human))	BDBM50314987 ((2S,3R,4R)-3-acetamido-4-hydroxy-2-(3-hydroxypropo...) Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCCCO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50314988 ((2S,3R,4R)-3-acetamido-4-hydroxy-2-isobutoxy-3,4-d...) Show SMILES CC(C)CO[C@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50314986 ((2S,3R,4R)-3-acetamido-2-(2,3-dihydroxypropoxy)-4-...) Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCC(O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6?,7-,9-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179883 ((4-Isopropylphenyl)-(4-isoquinolin-5-yl-phthalazin...) Show SMILES CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C26H22N4/c1-17(2)18-10-12-20(13-11-18)28-26-24-8-4-3-7-23(24)25(29-30-26)22-9-5-6-19-16-27-15-14-21(19)22/h3-17H,1-2H3,(H,28,30)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by HTRF assay				Bioorg Med Chem Lett 16: 1579-81 (2006) Article DOI: 10.1016/j.bmcl.2005.12.045 BindingDB Entry DOI: 10.7270/Q2WS8SVC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179883 ((4-Isopropylphenyl)-(4-isoquinolin-5-yl-phthalazin...) Show SMILES CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C26H22N4/c1-17(2)18-10-12-20(13-11-18)28-26-24-8-4-3-7-23(24)25(29-30-26)22-9-5-6-19-16-27-15-14-21(19)22/h3-17H,1-2H3,(H,28,30)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179881 ((4-Chlorophenyl)-(4-isoquinolin-5-yl-phthalazin-1-...) Show SMILES Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179881 ((4-Chlorophenyl)-(4-isoquinolin-5-yl-phthalazin-1-...) Show SMILES Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by HTRF assay				Bioorg Med Chem Lett 16: 1579-81 (2006) Article DOI: 10.1016/j.bmcl.2005.12.045 BindingDB Entry DOI: 10.7270/Q2WS8SVC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50262214 ((2-((1H-indazol-6-yl)methylamino)phenyl)(5-methyl-...) Show SMILES Cc1ccc2[nH]cc(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c2c1 Show InChI InChI=1S/C24H20N4O/c1-15-6-9-22-19(10-15)20(14-26-22)24(29)18-4-2-3-5-21(18)25-12-16-7-8-17-13-27-28-23(17)11-16/h2-11,13-14,25-26H,12H2,1H3,(H,27,28)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) autophosphorylation by cell based assay				Bioorg Med Chem Lett 18: 4344-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.083 BindingDB Entry DOI: 10.7270/Q2542NF0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50261960 ((2-((1H-indazol-6-yl)methylamino)phenyl)(1H-indazo...) Show SMILES O=C(c1n[nH]c2ccccc12)c1ccccc1NCc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C22H17N5O/c28-22(21-16-5-1-4-8-19(16)26-27-21)17-6-2-3-7-18(17)23-12-14-9-10-15-13-24-25-20(15)11-14/h1-11,13,23H,12H2,(H,24,25)(H,26,27)	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	74	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) autophosphorylation by cell based assay				Bioorg Med Chem Lett 18: 4344-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.083 BindingDB Entry DOI: 10.7270/Q2542NF0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179890 ((4-tert-Butylphenyl)-(4-isoquinolin-5-yl-phthalazi...) Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C27H24N4/c1-27(2,3)19-11-13-20(14-12-19)29-26-24-9-5-4-8-23(24)25(30-31-26)22-10-6-7-18-17-28-16-15-21(18)22/h4-17H,1-3H3,(H,29,31)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by HTRF assay				Bioorg Med Chem Lett 16: 1579-81 (2006) Article DOI: 10.1016/j.bmcl.2005.12.045 BindingDB Entry DOI: 10.7270/Q2WS8SVC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179890 ((4-tert-Butylphenyl)-(4-isoquinolin-5-yl-phthalazi...) Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C27H24N4/c1-27(2,3)19-11-13-20(14-12-19)29-26-24-9-5-4-8-23(24)25(30-31-26)22-10-6-7-18-17-28-16-15-21(18)22/h4-17H,1-3H3,(H,29,31)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50262274 ((2-((1H-indazol-6-yl)methylamino)phenyl)(6-methyl-...) Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)c1ccccc1NCc1ccc2cn[nH]c2c1 Show InChI InChI=1S/C24H20N4O/c1-15-6-9-18-20(14-26-23(18)10-15)24(29)19-4-2-3-5-21(19)25-12-16-7-8-17-13-27-28-22(17)11-16/h2-11,13-14,25-26H,12H2,1H3,(H,27,28)	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	76	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) autophosphorylation by cell based assay				Bioorg Med Chem Lett 18: 4344-7 (2008) Article DOI: 10.1016/j.bmcl.2008.06.083 BindingDB Entry DOI: 10.7270/Q2542NF0
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173019 (4-(4-(4-tert-butylphenylamino)phthalazin-1-yl)benz...) Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3ccc(cc3)C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C25H24N4O/c1-25(2,3)18-12-14-19(15-13-18)27-24-21-7-5-4-6-20(21)22(28-29-24)16-8-10-17(11-9-16)23(26)30/h4-15H,1-3H3,(H2,26,30)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173019 (4-(4-(4-tert-butylphenylamino)phthalazin-1-yl)benz...) Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3ccc(cc3)C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C25H24N4O/c1-25(2,3)18-12-14-19(15-13-18)27-24-21-7-5-4-6-20(21)22(28-29-24)16-8-10-17(11-9-16)23(26)30/h4-15H,1-3H3,(H2,26,30)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 kinase phosphorylation of pGAT-biotin peptide				Bioorg Med Chem Lett 15: 4696-8 (2005) Article DOI: 10.1016/j.bmcl.2005.07.064 BindingDB Entry DOI: 10.7270/Q25Q4VNS
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179889 (CHEMBL382818 | N-(4-(chlorodifluoromethoxy)phenyl)...) Show SMILES FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C24H15ClF2N4O/c25-24(26,27)32-17-10-8-16(9-11-17)29-23-21-6-2-1-5-20(21)22(30-31-23)19-7-3-4-15-14-28-13-12-18(15)19/h1-14H,(H,29,31)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of VEGFR2 by HTRF assay				Bioorg Med Chem Lett 16: 1579-81 (2006) Article DOI: 10.1016/j.bmcl.2005.12.045 BindingDB Entry DOI: 10.7270/Q2WS8SVC
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50179889 (CHEMBL382818 | N-(4-(chlorodifluoromethoxy)phenyl)...) Show SMILES FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1 Show InChI InChI=1S/C24H15ClF2N4O/c25-24(26,27)32-17-10-8-16(9-11-17)29-23-21-6-2-1-5-20(21)22(30-31-23)19-7-3-4-15-14-28-13-12-18(15)19/h1-14H,(H,29,31)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by HTRF method				Bioorg Med Chem 17: 731-40 (2009) Article DOI: 10.1016/j.bmc.2008.11.049 BindingDB Entry DOI: 10.7270/Q2W95929
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173031 (4-(4-(4-bromophenylamino)phthalazin-1-yl)benzamide...) Show SMILES NC(=O)c1ccc(cc1)-c1nnc(Nc2ccc(Br)cc2)c2ccccc12 Show InChI InChI=1S/C21H15BrN4O/c22-15-9-11-16(12-10-15)24-21-18-4-2-1-3-17(18)19(25-26-21)13-5-7-14(8-6-13)20(23)27/h1-12H,(H2,23,27)(H,24,26)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 kinase phosphorylation of pGAT-biotin peptide				Bioorg Med Chem Lett 15: 4696-8 (2005) Article DOI: 10.1016/j.bmcl.2005.07.064 BindingDB Entry DOI: 10.7270/Q25Q4VNS
					More data for this Ligand-Target Pair

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