Compile Data Set for Download or QSAR

Found 19 hits of ki for UniProtKB: G1SVQ2   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99205 (US8501708, 29) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99192 (US8501708, 12) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99210 (US8501708, 34) Show SMILES Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99193 (US8501708, 13) Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99206 (US8501708, 30) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99209 (US8501708, 33) Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99202 (US8501708, 22) Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99204 (US8501708, 28) Show SMILES Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99194 (US8501708, 14 | US8501708, 15) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99207 (US8501708, 31) Show SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99197 (US8501708, 17) Show SMILES Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99199 (US8501708, 19) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99201 (US8501708, 21) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99198 (US8501708, 18) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99203 (US8501708, 23) Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99200 (US8501708, 20) Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99208 (US8501708, 32) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99194 (US8501708, 14 | US8501708, 15) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99196 (US8501708, 16) Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O5/c1-13-4-2-5-14(8-13)10-32-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair