Compile Data Set for Download or QSAR

Found 8679 hits with Last Name = 'cai' and Initial = 'z'   

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
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582018 (US11518754, Compound (R)-3) Show SMILES Cc1cnccc1CN1C[C@H](CC1=O)c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582020 (US11518754, Compound (R)-5) Show SMILES Cc1cnccc1CN1C[C@H](CC1=O)c1cc(F)cc(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582019 (US11518754, Compound (R)-4) Show SMILES Cc1cnccc1CN1C[C@H](CC1=O)c1ccc(F)c(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582022 (US11518754, Compound (R)-12) Show SMILES Fc1cccc(c1)[C@@H]1CN(Cc2ccncc2)C(=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582021 (US11518754, Compound (R)-11) Show SMILES Cc1cnccc1CN1C[C@H](CC1=O)c1cccc(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582027 (US11518754, Compound (S)-12) Show SMILES Fc1cccc(c1)[C@H]1CN(Cc2ccncc2)C(=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582024 (US11518754, Compound (S)-4) Show SMILES Cc1cnccc1CN1C[C@@H](CC1=O)c1ccc(F)c(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50174316 (CHEMBL3809355) Show SMILES CCCCCCC(C)(C)c1cc(O)c(C2CCCCC2)c(O)c1 Show InChI InChI=1S/C21H34O2/c1-4-5-6-10-13-21(2,3)17-14-18(22)20(19(23)15-17)16-11-8-7-9-12-16/h14-16,22-23H,4-13H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KannaLife Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scintillation spectrometry				ACS Med Chem Lett 7: 424-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00009 BindingDB Entry DOI: 10.7270/Q2BZ680Z
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582023 (US11518754, Compound (S)-3) Show SMILES Cc1cnccc1CN1C[C@@H](CC1=O)c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582026 (US11518754, Compound (S)-11) Show SMILES Cc1cnccc1CN1C[C@@H](CC1=O)c1cccc(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50149232 (3-(5-(2-acetamido-3-(4-(carboxy-N-(2-carboxyphenyl...) Show SMILES CC(=O)NC(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Mus musculus)	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Flk1				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50092588 (4-(1,1-Dimethyl-heptyl)-2'-isopropyl-5'-methyl-bip...) Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1cc(C)ccc1C(C)C Show InChI InChI=1S/C25H36O/c1-7-8-9-10-15-25(5,6)20-12-14-22(24(26)17-20)23-16-19(4)11-13-21(23)18(2)3/h11-14,16-18,26H,7-10,15H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KannaLife Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scintillation spectrometry				ACS Med Chem Lett 7: 424-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00009 BindingDB Entry DOI: 10.7270/Q2BZ680Z
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50149232 (3-(5-(2-acetamido-3-(4-(carboxy-N-(2-carboxyphenyl...) Show SMILES CC(=O)NC(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR1				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582025 (US11518754, Compound (S)-5) Show SMILES Cc1cnccc1CN1C[C@@H](CC1=O)c1cc(F)cc(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50174315 (CHEMBL3810140) Show SMILES CCCCCc1cc(O)c([C@H]2C=C(C)CC[C@@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	842	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KannaLife Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins				ACS Med Chem Lett 7: 424-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00009 BindingDB Entry DOI: 10.7270/Q2BZ680Z
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50149232 (3-(5-(2-acetamido-3-(4-(carboxy-N-(2-carboxyphenyl...) Show SMILES CC(=O)NC(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of LAR (unknown origin)				Bioorg Med Chem 16: 7399-409 (2008) Article DOI: 10.1016/j.bmc.2008.06.014 BindingDB Entry DOI: 10.7270/Q2PC325T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KannaLife Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins				ACS Med Chem Lett 7: 424-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00009 BindingDB Entry DOI: 10.7270/Q2BZ680Z
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	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	0.0350	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of VEGFR-2 (unknown origin)				Bioorg Med Chem 25: 3195-3205 (2017) Article DOI: 10.1016/j.bmc.2017.04.003 BindingDB Entry DOI: 10.7270/Q27P91JP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	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	0.0860	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of VEGFR-2 (unknown origin) by HTRF method				Bioorg Med Chem 25: 3195-3205 (2017) Article DOI: 10.1016/j.bmc.2017.04.003 BindingDB Entry DOI: 10.7270/Q27P91JP
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM279989 (US10028961, Compound 142 | US10172864, Compound 14...) Show SMILES C[C@H](Nc1nc(N[C@@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |r| Show InChI InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 BindingDB Entry DOI: 10.7270/Q28G8Q0N
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM279977 (US10028961, Compound 130 | US10172864, Compound 13...) Show SMILES CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F Show InChI InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 BindingDB Entry DOI: 10.7270/Q28G8Q0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin) by HTRF method				Bioorg Med Chem 25: 3195-3205 (2017) Article DOI: 10.1016/j.bmc.2017.04.003 BindingDB Entry DOI: 10.7270/Q27P91JP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) by HTRF method				Bioorg Med Chem 25: 3195-3205 (2017) Article DOI: 10.1016/j.bmc.2017.04.003 BindingDB Entry DOI: 10.7270/Q27P91JP
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50612938 (CHEMBL5289179) Show SMILES Cl.Fc1cnc(Nc2ccc(cn2)C(=O)N2CCNCC2)nc1-c1ccc2scnc2c1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM279960 (US10028961, Compound 113 | US10172864, Compound 11...) Show SMILES FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1 Show InChI InChI=1S/C18H19ClF4N6/c19-13-3-1-2-12(26-13)14-27-15(24-10-4-6-17(20,21)8-10)29-16(28-14)25-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,24,25,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 BindingDB Entry DOI: 10.7270/Q28G8Q0N
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM279996 (US10028961, Compound 149 | US10172864, Compound 14...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1 Show InChI InChI=1S/C17H15F7N6/c18-15(19)4-8(5-15)25-13-28-12(10-2-1-3-11(27-10)17(22,23)24)29-14(30-13)26-9-6-16(20,21)7-9/h1-3,8-9H,4-7H2,(H2,25,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 BindingDB Entry DOI: 10.7270/Q28G8Q0N
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465394 (CHEMBL4278793) Show SMILES O[C@H]1C[C@@H](CC(=O)N([C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c2cc(F)cc(F)c2)N(C1=O)c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O4/c31-23-4-2-1-3-22(23)27(28(43)38-19-13-30(34,35)14-19)40(20-9-17(32)8-18(33)10-20)26(42)12-21-11-24(41)29(44)39(21)25-7-16(15-36)5-6-37-25/h1-10,19,21,24,27,41H,11-14H2,(H,38,43)/t21-,24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28028 (2-aminopyridine analogue, 7 | N-{4-[(2-amino-3-eth...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C Show InChI InChI=1S/C25H16F2N4O3/c1-2-18-21(11-12-29-23(18)28)34-22-10-7-16(14-20(22)27)30-24(32)19-4-3-13-31(25(19)33)17-8-5-15(26)6-9-17/h1,3-14H,(H2,28,29)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28030 (2-aminopyridine analogue, 9 | N-{4-[(2-amino-3-chl...) Show SMILES Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl Show InChI InChI=1S/C23H15ClF2N4O3/c24-20-19(9-10-28-21(20)27)33-18-8-5-14(12-17(18)26)29-22(31)16-2-1-11-30(23(16)32)15-6-3-13(25)4-7-15/h1-12H,(H2,27,28)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response c...				J Med Chem 52: 1251-4 (2009) Article DOI: 10.1021/jm801586s BindingDB Entry DOI: 10.7270/Q20863MZ
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1/2/3/4 (Homo sapiens (Human))	BDBM50168394 (2,4-Difluoro-5-[5-isopropyl-6-(5-isopropyl-[1,3,4]...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(C)C)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H23F2N7O3/c1-10(2)17-13(22-29-28-21(34-22)11(3)4)8-31-18(17)19(25-9-26-31)27-16-6-12(20(32)30-33-5)14(23)7-15(16)24/h6-11H,1-5H3,(H,30,32)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM279884 (US10028961, Compound 31 | US10172864, Compound 31 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(F)(F)C2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C19H19F7N6/c20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11/h1-3,10-11H,4-9H2,(H2,27,28,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutara...				ACS Med Chem Lett 11: 101-107 (2020) Article DOI: 10.1021/acsmedchemlett.9b00509 BindingDB Entry DOI: 10.7270/Q28G8Q0N
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50465396 (CHEMBL4289465) Show SMILES Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| Show InChI InChI=1S/C30H24ClF4N5O3/c31-24-4-2-1-3-23(24)28(29(43)38-20-14-30(34,35)15-20)40(22-11-18(32)10-19(33)12-22)27(42)13-21-5-6-26(41)39(21)25-9-17(16-36)7-8-37-25/h1-4,7-12,20-21,28H,5-6,13-15H2,(H,38,43)/t21-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis				ACS Med Chem Lett 9: 300-305 (2018) Article DOI: 10.1021/acsmedchemlett.7b00421 BindingDB Entry DOI: 10.7270/Q2NC63WG
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1/2/3 (Homo sapiens (Human))	BDBM50168397 (2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-oxazol-2-y...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C21H20F2N6O3/c1-10(2)17-13(21-24-7-11(3)32-21)8-29-18(17)19(25-9-26-29)27-16-5-12(20(30)28-31-4)14(22)6-15(16)23/h5-10H,1-4H3,(H,28,30)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferation				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24457 (2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...) Show SMILES [O-][n+]1c(cccc1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C25H17FN4O3/c26-19-15-17(9-10-23(19)33-22-12-14-28-24-18(22)11-13-27-24)29-25(31)21-8-4-7-20(30(21)32)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	30
Bristol-Myers Squibb Company					Assay Description Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...				J Med Chem 51: 5330-41 (2008) Article DOI: 10.1021/jm800476q BindingDB Entry DOI: 10.7270/Q2K35RZG
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin)				Bioorg Med Chem 25: 3195-3205 (2017) Article DOI: 10.1016/j.bmc.2017.04.003 BindingDB Entry DOI: 10.7270/Q27P91JP
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50235550 (1-(4-(5-((4-aminocyclohexylidene)methyl)pyrrolo[1,...) Show SMILES NC1CCC(CC1)=Cc1ccn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 Show InChI InChI=1S/C28H26F2N6O3/c29-20-5-1-18(2-6-20)14-25(37)35-28(38)34-22-9-10-24(23(30)15-22)39-27-26-19(11-12-36(26)33-16-32-27)13-17-3-7-21(31)8-4-17/h1-2,5-6,9-13,15-16,21H,3-4,7-8,14,31H2,(H2,34,35,37,38)/b17-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system				Bioorg Med Chem Lett 18: 1945-51 (2008) Article DOI: 10.1016/j.bmcl.2008.01.121 BindingDB Entry DOI: 10.7270/Q2125SFV
					More data for this Ligand-Target Pair
Synaptic vesicle glycoprotein 2A (Rattus norvegicus)	BDBM582018 (US11518754, Compound (R)-3) Show SMILES Cc1cnccc1CN1C[C@H](CC1=O)c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 μL of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN1B15
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460918 (US10774053, Compound 32 | US11352329, COMPD # 32) Show SMILES CC(C)(C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncn[nH]2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460922 (US10774053, Compound 36 | US11352329, COMPD # 36) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2cn(cn2)C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C34H35ClF4N8O3/c1-33(2,3)17-34(22-7-4-19(5-8-22)21-13-42-46(14-21)30(38)39)28(48)47(31(40)44-34)27(16-50-32(49)43-23-9-10-23)20-6-11-25(35)24(12-20)26-15-45(18-41-26)29(36)37/h4-8,11-15,18,23,27,29-30H,9-10,16-17H2,1-3H3,(H2,40,44)(H,43,49)/t27-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460924 (US10774053, Compound 38 | US11352329, COMPD # 38) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C35H38ClF2N9O3/c1-34(2,3)18-35(23-7-4-20(5-8-23)22-15-41-45(16-22)31(37)38)30(48)46(32(39)44-35)28(17-50-33(49)43-24-9-10-24)21-6-13-27(36)26(14-21)29-40-19-42-47(29)25-11-12-25/h4-8,13-16,19,24-25,28,31H,9-12,17-18H2,1-3H3,(H2,39,44)(H,43,49)/t28-,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460925 (US10774053, Compound 39 | US11352329, COMPD # 39) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2nncs2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C32H33ClF2N8O3S/c1-31(2,3)16-32(21-7-4-18(5-8-21)20-13-38-42(14-20)28(34)35)27(44)43(29(36)40-32)25(15-46-30(45)39-22-9-10-22)19-6-11-24(33)23(12-19)26-41-37-17-47-26/h4-8,11-14,17,22,25,28H,9-10,15-16H2,1-3H3,(H2,36,40)(H,39,45)/t25-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460930 (US10774053, Compound 43 | US11352329, COMPD # 43) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C36H40ClF2N9O3/c1-34(2,3)19-36(24-8-5-21(6-9-24)23-16-42-46(17-23)31(38)39)30(49)47(32(40)44-36)28(18-51-33(50)45-35(4)13-14-35)22-7-12-27(37)26(15-22)29-41-20-43-48(29)25-10-11-25/h5-9,12,15-17,20,25,28,31H,10-11,13-14,18-19H2,1-4H3,(H2,40,44)(H,45,50)/t28-,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460932 (US10774053, Compound 45 | US11352329, COMPD # 45) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC(C)(C)C(F)(F)F)c2ccc(Cl)c(c2)-c2ncn[nH]2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460936 (US10774053, Compound 49 | US11352329, COMPD # 49) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N2CC(F)(F)C2)c2ccc(Cl)c(c2)-c2ccccn2)C1=O)c1ccc(cc1)-c1cnn(c1)C1CC1 |r| Show InChI InChI=1S/C37H38ClF2N7O3/c1-35(2,3)20-37(26-10-7-23(8-11-26)25-17-43-46(18-25)27-12-13-27)32(48)47(33(41)44-37)31(19-50-34(49)45-21-36(39,40)22-45)24-9-14-29(38)28(16-24)30-6-4-5-15-42-30/h4-11,14-18,27,31H,12-13,19-22H2,1-3H3,(H2,41,44)/t31-,37-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (HIV-1)	BDBM460965 (US10774053, Compound 85 | US11352329, COMPD # 85) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)N2CC(C)(C2)C#N)c2ccc(Cl)c(c2)-c2ncn[nH]2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammon...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J38WSQ
					More data for this Ligand-Target Pair

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