Compile Data Set for Download or QSAR

Found 499 hits with Last Name = 'wasnaire' and Initial = 'p'   

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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM415452 (3-Ethyl-5-methyl-6-[(5-oxo-4,5-dihydro-1H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3nc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-21-11(24)10-8(2)9(6-23-13(25)19-7-20-23)27-12(10)22(14(21)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,19,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM415453 (3-Ethyl-5-methyl-6-[(5-oxo-1,5-dihydro-4H-1,2,4-tr...) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(Cn3cn[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C15H16F3N5O3S/c1-3-22-11(24)10-8(2)9(6-21-7-19-20-13(21)25)27-12(10)23(14(22)26)5-4-15(16,17)18/h7H,3-6H2,1-2H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415449 (3-Ethyl-5-methyl-1-(oxetan-2-ylmethyl)-6-[(2-oxoim...) Show SMILES CCn1c(=O)n(CC2CCO2)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C17H22N4O4S/c1-3-20-14(22)13-10(2)12(9-19-6-5-18-16(19)23)26-15(13)21(17(20)24)8-11-4-7-25-11/h11H,3-9H2,1-2H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415448 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoimida...) Show SMILES CCn1c(=O)n(CCOC)c2sc(CN3CCNC3=O)c(C)c2c1=O Show InChI InChI=1S/C16H22N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h4-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415451 (3-Ethyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxo-2,3-...) Show SMILES CCn1c(=O)n(CCOC)c2sc(Cn3cc[nH]c3=O)c(C)c2c1=O Show InChI InChI=1S/C16H20N4O4S/c1-4-19-13(21)12-10(2)11(9-18-6-5-17-15(18)22)25-14(12)20(16(19)23)7-8-24-3/h5-6H,4,7-9H2,1-3H3,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM415450 (3-Isopropyl-1-(2-methoxyethyl)-5-methyl-6-[(2-oxoi...) Show SMILES COCCn1c2sc(CN3CCNC3=O)c(C)c2c(=O)n(C(C)C)c1=O Show InChI InChI=1S/C17H24N4O4S/c1-10(2)21-14(22)13-11(3)12(9-19-6-5-18-16(19)23)26-15(13)20(17(21)24)7-8-25-4/h10H,5-9H2,1-4H3,(H,18,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane ...				US Patent US10428083 (2019) BindingDB Entry DOI: 10.7270/Q2Z03BH9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227802 (US10047096, 65 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)C5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C24H24FN5O3/c1-13-8-16(25)19(10-21(13)32)27-18-4-6-26-23-22(18)24(33)29-20-9-14(2-3-17(20)28-23)11-30-7-5-15(31)12-30/h2-4,6,8-10,15,31-32H,5,7,11-12H2,1H3,(H,29,33)(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.246	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227931 (US10047096, 192 | trans-Ethyl 3-[({4-[(2-fluoro-5-...) Show SMILES CCOC(=O)[C@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |r,wU:7.9,wD:5.4,(10.32,4.14,;10.32,2.6,;8.99,1.83,;8.99,.29,;10.32,-.48,;7.65,-.48,;6.17,-.09,;5.77,-1.57,;7.26,-1.97,;4.43,-2.34,;3.66,-3.68,;2.12,-3.68,;1.46,-5.06,;-.08,-5.18,;-.95,-3.91,;-2.45,-4.25,;-3.65,-3.29,;-4.99,-4.06,;-6.32,-3.29,;-6.32,-1.75,;-4.99,-.98,;-4.99,.56,;-6.32,1.33,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,;-8.99,2.87,;-10.32,3.64,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-3.65,-1.75,;-2.45,-.79,;-2.85,.7,;-.95,-1.13,;-.28,-2.52,;1.26,-2.41,)| Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.274	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227801 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O |r| Show InChI InChI=1S/C25H26FN5O4/c1-13-6-17(26)20(9-22(13)34)28-19-4-5-27-24-23(19)25(35)30-21-7-14(2-3-18(21)29-24)10-31-11-16(33)8-15(31)12-32/h2-7,9,15-16,32-34H,8,10-12H2,1H3,(H,30,35)(H2,27,28,29)/t15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.287	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227926 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CC(O)C5)cc4NC(=O)c23)cc1O |(-9.65,3.64,;-8.32,2.87,;-8.32,1.33,;-6.99,.56,;-6.99,-.98,;-5.65,1.33,;-4.32,.56,;-4.32,-.98,;-5.65,-1.75,;-5.65,-3.29,;-4.32,-4.06,;-2.99,-3.29,;-1.78,-4.25,;-.28,-3.91,;.59,-5.18,;2.12,-5.06,;2.79,-3.68,;4.33,-3.68,;5.1,-2.34,;6.43,-1.57,;7.92,-1.97,;8.32,-.48,;9.65,.29,;6.83,-.09,;1.92,-2.41,;.39,-2.52,;-.28,-1.13,;-1.78,-.79,;-2.18,.7,;-2.99,-1.75,;-5.65,2.87,;-6.99,3.64,;-6.99,5.18,)| Show InChI InChI=1S/C24H24FN5O3/c1-12-6-16(25)19(10-21(12)32)28-18-4-5-26-23-22(18)24(33)30-20-7-13(2-3-17(20)29-23)11-27-14-8-15(31)9-14/h2-7,10,14-15,27,31-32H,8-9,11H2,1H3,(H,30,33)(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.325	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227794 (US10047096, 57 | rac-1-({4-[(2-Fluoro-5-hydroxy-4-...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C26H27FN6O3/c1-14-9-17(27)20(11-22(14)34)30-19-6-7-29-25-23(19)26(36)32-21-10-15(4-5-18(21)31-25)12-33-8-2-3-16(13-33)24(28)35/h4-7,9-11,16,34H,2-3,8,12-13H2,1H3,(H2,28,35)(H,32,36)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227785 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(i...) Show SMILES CC(C)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN5O2/c1-12(2)26-11-14-4-5-16-19(9-14)29-23(31)21-17(6-7-25-22(21)28-16)27-18-10-20(30)13(3)8-15(18)24/h4-10,12,26,30H,11H2,1-3H3,(H,29,31)(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.363	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227814 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5CC[C@H](O)CC5)cc4NC(=O)c23)cc1O |r,wU:22.22,wD:19.18,(-10.46,3.64,;-9.12,2.87,;-9.12,1.33,;-7.79,.56,;-7.79,-.98,;-6.46,1.33,;-5.12,.56,;-5.12,-.98,;-6.46,-1.75,;-6.46,-3.29,;-5.12,-4.06,;-3.79,-3.29,;-2.59,-4.25,;-1.08,-3.91,;-.22,-5.18,;1.32,-5.06,;1.99,-3.68,;3.53,-3.68,;4.3,-2.34,;5.84,-2.34,;6.61,-3.68,;8.15,-3.68,;8.92,-2.34,;10.46,-2.34,;8.15,-1.01,;6.61,-1.01,;1.12,-2.4,;-.42,-2.52,;-1.08,-1.13,;-2.59,-.79,;-2.98,.7,;-3.79,-1.75,;-6.46,2.87,;-7.79,3.64,;-7.79,5.18,)| Show InChI InChI=1S/C26H28FN5O3/c1-14-10-18(27)21(12-23(14)34)30-20-8-9-28-25-24(20)26(35)32-22-11-15(2-7-19(22)31-25)13-29-16-3-5-17(33)6-4-16/h2,7-12,16-17,29,33-34H,3-6,13H2,1H3,(H,32,35)(H2,28,30,31)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.372	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227786 (8-{[Ethyl(methyl)amino]methyl}-4-[(2-fluoro-5-hydr...) Show SMILES CCN(C)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN5O2/c1-4-29(3)12-14-5-6-16-19(10-14)28-23(31)21-17(7-8-25-22(21)27-16)26-18-11-20(30)13(2)9-15(18)24/h5-11,30H,4,12H2,1-3H3,(H,28,31)(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.388	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227902 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[4...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(CCO)CC5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C27H30FN5O3/c1-16-12-19(28)22(14-24(16)35)30-21-4-8-29-26-25(21)27(36)32-23-13-18(2-3-20(23)31-26)15-33-9-5-17(6-10-33)7-11-34/h2-4,8,12-14,17,34-35H,5-7,9-11,15H2,1H3,(H,32,36)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.388	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227799 (US10047096, 62 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)CC5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C26H28FN5O3/c1-15-11-18(27)21(13-23(15)34)29-20-6-8-28-25-24(20)26(35)31-22-12-16(4-5-19(22)30-25)14-32-9-2-3-17(33)7-10-32/h4-6,8,11-13,17,33-34H,2-3,7,9-10,14H2,1H3,(H,31,35)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.394	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227765 (8-[(Diethylamino)methyl]-4-[(2-fluoro-5-hydroxy-4-...) Show SMILES CCN(CC)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C24H26FN5O2/c1-4-30(5-2)13-15-6-7-17-20(11-15)29-24(32)22-18(8-9-26-23(22)28-17)27-19-12-21(31)14(3)10-16(19)25/h6-12,31H,4-5,13H2,1-3H3,(H,29,32)(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.401	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227906 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCO)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C22H22FN5O3/c1-12-8-14(23)17(10-19(12)30)26-16-4-5-25-21-20(16)22(31)28-18-9-13(11-24-6-7-29)2-3-15(18)27-21/h2-5,8-10,24,29-30H,6-7,11H2,1H3,(H,28,31)(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.407	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227930 (US10047096, 191 | cis-Ethyl 3-[({4-[(2-fluoro-5-hy...) Show SMILES CCOC(=O)[C@@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |r,wU:7.9,5.4,(10.32,4.14,;10.32,2.6,;8.99,1.83,;8.99,.29,;10.32,-.48,;7.65,-.48,;6.17,-.09,;5.77,-1.57,;7.26,-1.97,;4.43,-2.34,;3.66,-3.68,;2.12,-3.68,;1.46,-5.06,;-.08,-5.18,;-.95,-3.91,;-2.45,-4.25,;-3.65,-3.29,;-4.99,-4.06,;-6.32,-3.29,;-6.32,-1.75,;-4.99,-.98,;-4.99,.56,;-6.32,1.33,;-6.32,2.87,;-7.65,3.64,;-7.65,5.18,;-8.99,2.87,;-10.32,3.64,;-8.99,1.33,;-7.65,.56,;-7.65,-.98,;-3.65,-1.75,;-2.45,-.79,;-2.85,.7,;-.95,-1.13,;-.28,-2.52,;1.26,-2.41,)| Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.419	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227816 (8-{[(1,3-Dihydroxypropan-2-yl)amino]methyl}-4-[(2-...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC(CO)CO)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C23H24FN5O4/c1-12-6-15(24)18(8-20(12)32)27-17-4-5-25-22-21(17)23(33)29-19-7-13(2-3-16(19)28-22)9-26-14(10-30)11-31/h2-8,14,26,30-32H,9-11H2,1H3,(H,29,33)(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.429	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227796 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(3...) Show SMILES CC1CCN(Cc2ccc3Nc4nccc(Nc5cc(O)c(C)cc5F)c4C(=O)Nc3c2)CC1O Show InChI InChI=1S/C26H28FN5O3/c1-14-6-8-32(13-23(14)34)12-16-3-4-18-21(10-16)31-26(35)24-19(5-7-28-25(24)30-18)29-20-11-22(33)15(2)9-17(20)27/h3-5,7,9-11,14,23,33-34H,6,8,12-13H2,1-2H3,(H,31,35)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.432	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227768 (8-[(Ethylamino)methyl]-4-[(2-fluoro-5-hydroxy-4-me...) Show SMILES CCNCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C22H22FN5O2/c1-3-24-11-13-4-5-15-18(9-13)28-22(30)20-16(6-7-25-21(20)27-15)26-17-10-19(29)12(2)8-14(17)23/h4-10,24,29H,3,11H2,1-2H3,(H,28,30)(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.448	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227812 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({[...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCc5ccncc5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C27H25FN6O2/c1-16-12-19(28)22(14-24(16)35)32-21-7-11-31-26-25(21)27(36)34-23-13-18(2-3-20(23)33-26)15-30-10-6-17-4-8-29-9-5-17/h2-5,7-9,11-14,30,35H,6,10,15H2,1H3,(H,34,36)(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.459	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227771 (8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.472	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227792 (8-{[Ethyl(2-methoxyethyl)amino]methyl}-4-[(2-fluor...) Show SMILES CCN(CCOC)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C25H28FN5O3/c1-4-31(9-10-34-3)14-16-5-6-18-21(12-16)30-25(33)23-19(7-8-27-24(23)29-18)28-20-13-22(32)15(2)11-17(20)26/h5-8,11-13,32H,4,9-10,14H2,1-3H3,(H,30,33)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.473	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM227812 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({[...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCc5ccncc5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C27H25FN6O2/c1-16-12-19(28)22(14-24(16)35)32-21-7-11-31-26-25(21)27(36)34-23-13-18(2-3-20(23)33-26)15-30-10-6-17-4-8-29-9-5-17/h2-5,7-9,11-14,30,35H,6,10,15H2,1H3,(H,34,36)(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.475	n/a	n/a	n/a	n/a	7.5	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM227786 (8-{[Ethyl(methyl)amino]methyl}-4-[(2-fluoro-5-hydr...) Show SMILES CCN(C)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN5O2/c1-4-29(3)12-14-5-6-16-19(10-14)28-23(31)21-17(7-8-25-22(21)27-16)26-18-11-20(30)13(2)9-15(18)24/h5-11,30H,4,12H2,1-3H3,(H,28,31)(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.487	n/a	n/a	n/a	n/a	7.5	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227807 (US10047096, 69 | US10047096, 70 | US10047096, 71 |...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)C5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C25H26FN5O3/c1-14-9-17(26)20(11-22(14)33)28-19-6-7-27-24-23(19)25(34)30-21-10-15(4-5-18(21)29-24)12-31-8-2-3-16(32)13-31/h4-7,9-11,16,32-33H,2-3,8,12-13H2,1H3,(H,30,34)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.496	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227782 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(4...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)CC5)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C25H26FN5O3/c1-14-10-17(26)20(12-22(14)33)28-19-4-7-27-24-23(19)25(34)30-21-11-15(2-3-18(21)29-24)13-31-8-5-16(32)6-9-31/h2-4,7,10-12,16,32-33H,5-6,8-9,13H2,1H3,(H,30,34)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.498	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM466529 (2-{[5-Acetyl-1-(2-chlorophenyl)-1H-1,2,4-triazol-3...) Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl |r| Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-5-3-2-4-15(16)24)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-6-8-14(23)9-7-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...				US Patent US10800746 (2020) BindingDB Entry DOI: 10.7270/Q2348PGH
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227929 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...) Show SMILES CC(C)OC1CC(C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1 |(10.99,.29,;9.65,-.48,;9.65,-2.02,;8.32,.29,;6.99,-.48,;6.59,-1.97,;5.1,-1.57,;5.5,-.09,;3.77,-2.34,;3,-3.68,;1.46,-3.68,;.79,-5.06,;-.75,-5.18,;-1.61,-3.91,;-3.12,-4.25,;-4.32,-3.29,;-5.65,-4.06,;-6.99,-3.29,;-6.99,-1.75,;-5.65,-.98,;-5.65,.56,;-6.99,1.33,;-6.99,2.87,;-8.32,3.64,;-8.32,5.18,;-9.65,2.87,;-10.99,3.64,;-9.65,1.33,;-8.32,.56,;-8.32,-.98,;-4.32,-1.75,;-3.12,-.79,;-3.51,.7,;-1.61,-1.13,;-.95,-2.52,;.59,-2.41,)| Show InChI InChI=1S/C27H30FN5O3/c1-14(2)36-18-10-17(11-18)30-13-16-4-5-20-23(9-16)33-27(35)25-21(6-7-29-26(25)32-20)31-22-12-24(34)15(3)8-19(22)28/h4-9,12,14,17-18,30,34H,10-11,13H2,1-3H3,(H,33,35)(H2,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.503	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227925 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-(13...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCOCCOCCOCCOCO)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C29H36FN5O7/c1-19-14-21(30)24(16-26(19)37)33-23-4-5-32-28-27(23)29(38)35-25-15-20(2-3-22(25)34-28)17-31-6-7-39-8-9-40-10-11-41-12-13-42-18-36/h2-5,14-16,31,36-37H,6-13,17-18H2,1H3,(H,35,38)(H2,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.503	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM227830 (4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({3...) Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC(O)C(C5)NCCO)cc4NC(=O)c23)cc1O Show InChI InChI=1S/C26H29FN6O4/c1-14-8-16(27)19(10-22(14)35)30-18-4-5-29-25-24(18)26(37)32-20-9-15(2-3-17(20)31-25)11-33-12-21(23(36)13-33)28-6-7-34/h2-5,8-10,21,23,28,34-36H,6-7,11-13H2,1H3,(H,32,37)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.522	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...				US Patent US10047096 (2018) BindingDB Entry DOI: 10.7270/Q23R0VW4
					More data for this Ligand-Target Pair

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