Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'sanna' and Initial = 'g'   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50324676 ((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...) Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1 |r| Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding				Nat Chem Biol 2: 434-41 (2006) Article DOI: 10.1038/nchembio804 BindingDB Entry DOI: 10.7270/Q2KD1Z4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50324676 ((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...) Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1 |r| Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding				Nat Chem Biol 2: 434-41 (2006) Article DOI: 10.1038/nchembio804 BindingDB Entry DOI: 10.7270/Q2KD1Z4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50324677 ((S)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...) Show SMILES CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(O)(O)=O)c1 |r| Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding				Nat Chem Biol 2: 434-41 (2006) Article DOI: 10.1038/nchembio804 BindingDB Entry DOI: 10.7270/Q2KD1Z4S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50324677 ((S)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...) Show SMILES CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(O)(O)=O)c1 |r| Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding				Nat Chem Biol 2: 434-41 (2006) Article DOI: 10.1038/nchembio804 BindingDB Entry DOI: 10.7270/Q2KD1Z4S
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase				Eur J Med Chem 44: 2190-201 (2009) Article DOI: 10.1016/j.ejmech.2008.10.032 BindingDB Entry DOI: 10.7270/Q2X069TR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of HIV1 virion-associated reverse transcriptase				Bioorg Med Chem 16: 6353-63 (2008) Article DOI: 10.1016/j.bmc.2008.05.010 BindingDB Entry DOI: 10.7270/Q2B56NJR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50480227 (CHEMBL520032) Show SMILES Cc1ccc2C(=O)N(CCOC(=S)N(C(=O)c3ccc(Cl)cc3)c3ccc(cc3)[N+]([O-])=O)C(=O)c2c1 Show InChI InChI=1S/C25H18ClN3O6S/c1-15-2-11-20-21(14-15)24(32)27(23(20)31)12-13-35-25(36)28(18-7-9-19(10-8-18)29(33)34)22(30)16-3-5-17(26)6-4-16/h2-11,14H,12-13H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase				Eur J Med Chem 44: 2190-201 (2009) Article DOI: 10.1016/j.ejmech.2008.10.032 BindingDB Entry DOI: 10.7270/Q2X069TR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168128 (CHEMBL191655 | O-2-(1,3-dioxoisoindolin-2-yl)ethyl...) Show SMILES O=C1N(CCOC(=S)Nc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H14N2O3S/c20-15-13-8-4-5-9-14(13)16(21)19(15)10-11-22-17(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 virion reverse transcriptase				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50480228 (CHEMBL484982) Show SMILES Clc1ncccc1C(=O)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C23H15BrClN3O4S/c24-14-7-9-15(10-8-14)28(22(31)18-6-3-11-26-19(18)25)23(33)32-13-12-27-20(29)16-4-1-2-5-17(16)21(27)30/h1-11H,12-13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 reverse transcriptase				Eur J Med Chem 44: 2190-201 (2009) Article DOI: 10.1016/j.ejmech.2008.10.032 BindingDB Entry DOI: 10.7270/Q2X069TR
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50478732 (CHEMBL443403) Show SMILES Brc1ccc(cc1)\N=C(/OCCN1C(=O)c2ccccc2C1=O)SS\C(OCCN1C(=O)c2ccccc2C1=O)=N\c1ccc(Br)cc1 Show InChI InChI=1S/C34H24Br2N4O6S2/c35-21-9-13-23(14-10-21)37-33(45-19-17-39-29(41)25-5-1-2-6-26(25)30(39)42)47-48-34(38-24-15-11-22(36)12-16-24)46-20-18-40-31(43)27-7-3-4-8-28(27)32(40)44/h1-16H,17-20H2/b37-33+,38-34+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of HIV1 virion-associated reverse transcriptase				Bioorg Med Chem 16: 6353-63 (2008) Article DOI: 10.1016/j.bmc.2008.05.010 BindingDB Entry DOI: 10.7270/Q2B56NJR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibition of HIV1 virion-associated reverse transcriptase				Bioorg Med Chem 16: 6353-63 (2008) Article DOI: 10.1016/j.bmc.2008.05.010 BindingDB Entry DOI: 10.7270/Q2B56NJR
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1866 (3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]t...) Show SMILES Brc1ccc(NC(=S)NCCc2ccccn2)nc1 Show InChI InChI=1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168060 (CHEMBL195108 | N-[2-(4-Iodo-phenylthiocarbamoyloxy...) Show SMILES OC(=O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C17H15IN2O4S/c18-11-5-7-12(8-6-11)20-17(25)24-10-9-19-15(21)13-3-1-2-4-14(13)16(22)23/h1-8H,9-10H2,(H,19,21)(H,20,25)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50168052 ((4-Iodo-phenyl)-thiocarbamic acid 2-(1,3-dioxo-1,3...) Show SMILES Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Genova Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)				J Med Chem 48: 3858-73 (2005) Article DOI: 10.1021/jm049252r BindingDB Entry DOI: 10.7270/Q2GH9JQK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430984 (US10550102, Example 40-1 (-)) Show SMILES CCC[C@H](O)C(=O)N1CCC(CC1)c1ccc(CC2CCc3cccc(c23)-c2cccc(n2)-n2ncc(C(O)=O)c2CC)cc1CC |r| Show InChI InChI=1S/C39H46N4O4/c1-4-9-35(44)38(45)42-20-18-27(19-21-42)30-17-14-25(22-26(30)5-2)23-29-16-15-28-10-7-11-31(37(28)29)33-12-8-13-36(41-33)43-34(6-3)32(24-40-43)39(46)47/h7-8,10-14,17,22,24,27,29,35,44H,4-6,9,15-16,18-21,23H2,1-3H3,(H,46,47)/t29?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430985 (Example 60-A. (+-)-Ethyl 1-(6-(3-((4-(1-cyclopropy...) Show SMILES Cc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Nc3ccc(cc3C)C3CCN(CC3)C3CC3)c12)C(O)=O Show InChI InChI=1S/C34H37N5O2/c1-21-19-25(23-15-17-38(18-16-23)26-11-12-26)10-13-29(21)36-31-14-9-24-5-3-6-27(33(24)31)30-7-4-8-32(37-30)39-22(2)28(20-35-39)34(40)41/h3-8,10,13,19-20,23,26,31,36H,9,11-12,14-18H2,1-2H3,(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430986 (US10550102, Example 40-1 (+)) Show SMILES CCC[C@H](O)C(=O)N1CCC(CC1)c1ccc(CC2CCc3cccc(c23)-c2cccc(n2)-n2ncc(C(O)=O)c2CC)cc1CC |r| Show InChI InChI=1S/C39H46N4O4/c1-4-9-35(44)38(45)42-20-18-27(19-21-42)30-17-14-25(22-26(30)5-2)23-29-16-15-28-10-7-11-31(37(28)29)33-12-8-13-36(41-33)43-34(6-3)32(24-40-43)39(46)47/h7-8,10-14,17,22,24,27,29,35,44H,4-6,9,15-16,18-21,23H2,1-3H3,(H,46,47)/t29?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430987 (US10550102, Example 61. b). (enantiomer-1) | US105...) Show SMILES OC(=O)c1cnn(c1C(F)(F)F)-c1cccc(n1)-c1cccc2CCC(Nc3ccc(cc3C(F)(F)F)C3CCN(CC3)C(=O)C3CC3)c12 Show InChI InChI=1S/C35H31F6N5O3/c36-34(37,38)25-17-22(19-13-15-45(16-14-19)32(47)21-7-8-21)10-11-27(25)43-28-12-9-20-3-1-4-23(30(20)28)26-5-2-6-29(44-26)46-31(35(39,40)41)24(18-42-46)33(48)49/h1-6,10-11,17-19,21,28,43H,7-9,12-16H2,(H,48,49)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430988 (US10550102, Example 40-2 (-)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(cc3C)C3CCN(CC3)C(=O)[C@H](C)O)c12)C(O)=O |r| Show InChI InChI=1S/C36H40N4O4/c1-4-32-30(36(43)44)21-37-40(32)33-10-6-9-31(38-33)29-8-5-7-25-11-14-28(34(25)29)20-26-12-13-27(19-22(26)2)24-15-17-39(18-16-24)35(42)23(3)41/h5-10,12-13,19,21,23-24,28,41H,4,11,14-18,20H2,1-3H3,(H,43,44)/t23-,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430987 (US10550102, Example 61. b). (enantiomer-1) | US105...) Show SMILES OC(=O)c1cnn(c1C(F)(F)F)-c1cccc(n1)-c1cccc2CCC(Nc3ccc(cc3C(F)(F)F)C3CCN(CC3)C(=O)C3CC3)c12 Show InChI InChI=1S/C35H31F6N5O3/c36-34(37,38)25-17-22(19-13-15-45(16-14-19)32(47)21-7-8-21)10-11-27(25)43-28-12-9-20-3-1-4-23(30(20)28)26-5-2-6-29(44-26)46-31(35(39,40)41)24(18-42-46)33(48)49/h1-6,10-11,17-19,21,28,43H,7-9,12-16H2,(H,48,49)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430990 (US10550102, Example 40-2 (+)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(cc3C)C3CCN(CC3)C(=O)[C@H](C)O)c12)C(O)=O |r| Show InChI InChI=1S/C36H40N4O4/c1-4-32-30(36(43)44)21-37-40(32)33-10-6-9-31(38-33)29-8-5-7-25-11-14-28(34(25)29)20-26-12-13-27(19-22(26)2)24-15-17-39(18-16-24)35(42)23(3)41/h5-10,12-13,19,21,23-24,28,41H,4,11,14-18,20H2,1-3H3,(H,43,44)/t23-,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430991 (Example 62-A. (+-)-Ethyl 1-(6-(3-((tert-butoxycarb...) Show SMILES Cc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Nc3ncc(cc3C)C3CCN(CC3)C(=O)C3CC3)c12)C(O)=O Show InChI InChI=1S/C34H36N6O3/c1-20-17-25(22-13-15-39(16-14-22)33(41)24-9-10-24)18-35-32(20)38-29-12-11-23-5-3-6-26(31(23)29)28-7-4-8-30(37-28)40-21(2)27(19-36-40)34(42)43/h3-8,17-19,22,24,29H,9-16H2,1-2H3,(H,35,38)(H,42,43)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430992 (US10550102, Example 40-3 (-)) Show SMILES CCC[C@H](O)C(=O)N1CCC(CC1)c1ccc(CC2CCc3cccc(c23)-c2cccc(n2)-n2ncc(C(O)=O)c2CC)c(C)c1 |r| Show InChI InChI=1S/C38H44N4O4/c1-4-8-34(43)37(44)41-19-17-25(18-20-41)28-15-14-27(24(3)21-28)22-29-16-13-26-9-6-10-30(36(26)29)32-11-7-12-35(40-32)42-33(5-2)31(23-39-42)38(45)46/h6-7,9-12,14-15,21,23,25,29,34,43H,4-5,8,13,16-20,22H2,1-3H3,(H,45,46)/t29?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430993 (US10550102, Example 63a) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Nc3ccc(C4CCN(CC4)C(=O)C4CC4)c(CC)n3)c12)C(O)=O Show InChI InChI=1S/C36H40N6O3/c1-3-28-25(22-17-19-41(20-18-22)35(43)24-11-12-24)14-16-32(38-28)39-30-15-13-23-7-5-8-26(34(23)30)29-9-6-10-33(40-29)42-31(4-2)27(21-37-42)36(44)45/h5-10,14,16,21-22,24,30H,3-4,11-13,15,17-20H2,1-2H3,(H,38,39)(H,44,45)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430994 (US10550102, Example 40-3 (+)) Show SMILES CCC[C@H](O)C(=O)N1CCC(CC1)c1ccc(CC2CCc3cccc(c23)-c2cccc(n2)-n2ncc(C(O)=O)c2CC)c(C)c1 |r| Show InChI InChI=1S/C38H44N4O4/c1-4-8-34(43)37(44)41-19-17-25(18-20-41)28-15-14-27(24(3)21-28)22-29-16-13-26-9-6-10-30(36(26)29)32-11-7-12-35(40-32)42-33(5-2)31(23-39-42)38(45)46/h6-7,9-12,14-15,21,23,25,29,34,43H,4-5,8,13,16-20,22H2,1-3H3,(H,45,46)/t29?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430995 (US10550102, Example 63b) Show SMILES CCOC(=O)c1cnn(c1CC)-c1cccc(n1)-c1cccc2CCC(Nc3ccc(C4CCN(CC4)C(=O)C4CC4)c(CC)n3)c12 Show InChI InChI=1S/C38H44N6O3/c1-4-30-27(24-19-21-43(22-20-24)37(45)26-13-14-26)16-18-34(40-30)41-32-17-15-25-9-7-10-28(36(25)32)31-11-8-12-35(42-31)44-33(5-2)29(23-39-44)38(46)47-6-3/h7-12,16,18,23-24,26,32H,4-6,13-15,17,19-22H2,1-3H3,(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430996 (US10550102, Example 41. b). (-)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(C4CCN(CC4)C(=O)OC)c(CC)c3)c12)C(O)=O Show InChI InChI=1S/C36H40N4O4/c1-4-24-20-23(12-15-28(24)25-16-18-39(19-17-25)36(43)44-3)21-27-14-13-26-8-6-9-29(34(26)27)31-10-7-11-33(38-31)40-32(5-2)30(22-37-40)35(41)42/h6-12,15,20,22,25,27H,4-5,13-14,16-19,21H2,1-3H3,(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430997 (US10550102, Example 64-1) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CC[C@H](Oc3ccc(C4CCN(CC4)C(=O)OCc4ccccc4)c(CC)c3)c12)C(O)=O |r| Show InChI InChI=1S/C41H42N4O5/c1-3-28-24-31(17-18-32(28)29-20-22-44(23-21-29)41(48)49-26-27-10-6-5-7-11-27)50-37-19-16-30-12-8-13-33(39(30)37)35-14-9-15-38(43-35)45-36(4-2)34(25-42-45)40(46)47/h5-15,17-18,24-25,29,37H,3-4,16,19-23,26H2,1-2H3,(H,46,47)/t37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430998 (US10550102, Example 41. b). (+)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(C4CCN(CC4)C(=O)OC)c(CC)c3)c12)C(O)=O Show InChI InChI=1S/C36H40N4O4/c1-4-24-20-23(12-15-28(24)25-16-18-39(19-17-25)36(43)44-3)21-27-14-13-26-8-6-9-29(34(26)27)31-10-7-11-33(38-31)40-32(5-2)30(22-37-40)35(41)42/h6-12,15,20,22,25,27H,4-5,13-14,16-19,21H2,1-3H3,(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM430999 (US10550102, Example 64-2) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CC[C@H](Oc3ccc(C4CCN(CC4)C(=O)OCC(C)C)c(CC)c3)c12)C(O)=O |r| Show InChI InChI=1S/C38H44N4O5/c1-5-25-21-28(14-15-29(25)26-17-19-41(20-18-26)38(45)46-23-24(3)4)47-34-16-13-27-9-7-10-30(36(27)34)32-11-8-12-35(40-32)42-33(6-2)31(22-39-42)37(43)44/h7-12,14-15,21-22,24,26,34H,5-6,13,16-20,23H2,1-4H3,(H,43,44)/t34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431000 (US10550102, Example 42. b). (-)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(cc3C)C3CCN(CC3)C(=O)OC)c12)C(O)=O Show InChI InChI=1S/C35H38N4O4/c1-4-31-29(34(40)41)21-36-39(31)32-10-6-9-30(37-32)28-8-5-7-24-11-14-27(33(24)28)20-25-12-13-26(19-22(25)2)23-15-17-38(18-16-23)35(42)43-3/h5-10,12-13,19,21,23,27H,4,11,14-18,20H2,1-3H3,(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431001 (US10550102, Example 64-3) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CC[C@H](Oc3ccc(C4CCN(CC4)C(=O)OC(C)C)c(CC)c3)c12)C(O)=O |r| Show InChI InChI=1S/C37H42N4O5/c1-5-24-21-27(14-15-28(24)25-17-19-40(20-18-25)37(44)45-23(3)4)46-33-16-13-26-9-7-10-29(35(26)33)31-11-8-12-34(39-31)41-32(6-2)30(22-38-41)36(42)43/h7-12,14-15,21-23,25,33H,5-6,13,16-20H2,1-4H3,(H,42,43)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431002 (US10550102, Example 42. b). (+)) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CCC(Cc3ccc(cc3C)C3CCN(CC3)C(=O)OC)c12)C(O)=O Show InChI InChI=1S/C35H38N4O4/c1-4-31-29(34(40)41)21-36-39(31)32-10-6-9-30(37-32)28-8-5-7-24-11-14-27(33(24)28)20-25-12-13-26(19-22(25)2)23-15-17-38(18-16-23)35(42)43-3/h5-10,12-13,19,21,23,27H,4,11,14-18,20H2,1-3H3,(H,40,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431003 (US10550102, Example 64-4) Show SMILES CCCOC(=O)N1CCC(CC1)c1ccc(O[C@H]2CCc3cccc(c23)-c2cccc(n2)-n2ncc(C(O)=O)c2CC)cc1CC |r| Show InChI InChI=1S/C37H42N4O5/c1-4-21-45-37(44)40-19-17-25(18-20-40)28-15-14-27(22-24(28)5-2)46-33-16-13-26-9-7-10-29(35(26)33)31-11-8-12-34(39-31)41-32(6-3)30(23-38-41)36(42)43/h7-12,14-15,22-23,25,33H,4-6,13,16-21H2,1-3H3,(H,42,43)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431004 (US10550102, Example 43 (+)) Show SMILES Cc1cc2CCC(Nc3ccc(cc3C)C3CCN(CC3)C(=O)C3CC3)c2c(c1)-c1cccc(n1)-n1ncc(C(O)=O)c1C(F)(F)F Show InChI InChI=1S/C36H36F3N5O3/c1-20-16-25-9-11-30(41-28-10-8-24(18-21(28)2)22-12-14-43(15-13-22)34(45)23-6-7-23)32(25)26(17-20)29-4-3-5-31(42-29)44-33(36(37,38)39)27(19-40-44)35(46)47/h3-5,8,10,16-19,22-23,30,41H,6-7,9,11-15H2,1-2H3,(H,46,47)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431005 (US10550102, Example 64-5) Show SMILES CCc1c(cnn1-c1cccc(n1)-c1cccc2CC[C@H](Oc3ccc(C4CCN(CC4)C(=O)OCC=C)c(CC)c3)c12)C(O)=O |r| Show InChI InChI=1S/C37H40N4O5/c1-4-21-45-37(44)40-19-17-25(18-20-40)28-15-14-27(22-24(28)5-2)46-33-16-13-26-9-7-10-29(35(26)33)31-11-8-12-34(39-31)41-32(6-3)30(23-38-41)36(42)43/h4,7-12,14-15,22-23,25,33H,1,5-6,13,16-21H2,2-3H3,(H,42,43)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM431006 (US10550102, Example 43 (-)) Show SMILES Cc1cc2CCC(Nc3ccc(cc3C)C3CCN(CC3)C(=O)C3CC3)c2c(c1)-c1cccc(n1)-n1ncc(C(O)=O)c1C(F)(F)F Show InChI InChI=1S/C36H36F3N5O3/c1-20-16-25-9-11-30(41-28-10-8-24(18-21(28)2)22-12-14-43(15-13-22)34(45)23-6-7-23)32(25)26(17-20)29-4-3-5-31(42-29)44-33(36(37,38)39)27(19-40-44)35(46)47/h3-5,8,10,16-19,22-23,30,41H,6-7,9,11-15H2,1-2H3,(H,46,47)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context....				US Patent US10550102 (2020) BindingDB Entry DOI: 10.7270/Q2PC34SQ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 188 total )  |  Next  |  Last  >>

Jump to: