Compile Data Set for Download or QSAR

Found 5028 hits with Last Name = 'ji' 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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166873 (CHEMBL3800456) Show SMILES Cc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24| Show InChI InChI=1S/C21H19NO5/c1-13-3-4-16(11-14(13)2)18(23)12-27-21(26)15-5-7-17(8-6-15)22-19(24)9-10-20(22)25/h3-11,24-25H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166868 (CHEMBL3797635) Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C25H21NO7/c27-20(16-7-10-21-22(13-16)32-12-11-31-21)14-33-25(30)15-5-8-17(9-6-15)26-23(28)18-3-1-2-4-19(18)24(26)29/h1-2,5-10,13,28-29H,3-4,11-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166871 (CHEMBL3797841) Show SMILES Clc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24| Show InChI InChI=1S/C26H23NO5/c28-23(19-9-8-16-4-3-5-18(16)14-19)15-32-26(31)17-10-12-20(13-11-17)27-24(29)21-6-1-2-7-22(21)25(27)30/h1-2,8-14,29-30H,3-7,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166866 (CHEMBL3798156) Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23| Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166866 (CHEMBL3798156) Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23| Show InChI InChI=1S/C22H21NO5/c1-14-6-7-17(12-15(14)2)19(24)13-28-22(27)16-8-10-18(11-9-16)23-20(25)4-3-5-21(23)26/h6-12H,3-5,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166869 (CHEMBL3799744) Show SMILES Clc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21| Show InChI InChI=1S/C25H23NO7/c1-31-21-12-9-16(13-22(21)32-2)20(27)14-33-25(30)15-7-10-17(11-8-15)26-23(28)18-5-3-4-6-19(18)24(26)29/h3-4,7-13,28-29H,5-6,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166890 (CHEMBL3797809) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C24H21N5O3S/c25-15-17-6-8-19(9-7-17)31-24(30)29-12-10-28(11-13-29)23-26-21(16-33-23)20-14-22(32-27-20)18-4-2-1-3-5-18/h1-9,16,22H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166867 (CHEMBL3798476) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166867 (CHEMBL3798476) Show SMILES O=C(Oc1ccc(cc1)C#N)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C26H25NO5/c1-15-4-11-21-22(12-15)25(30)27(24(21)29)20-9-7-18(8-10-20)26(31)32-14-23(28)19-6-5-16(2)17(3)13-19/h4-10,13,29-30H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme ina...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166910 (CHEMBL3798355) Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24| Show InChI InChI=1S/C24H21F3N4O3S/c25-24(26,27)17-6-8-18(9-7-17)33-23(32)31-12-10-30(11-13-31)22-28-20(15-35-22)19-14-21(34-29-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166891 (CHEMBL3799008) Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:25| Show InChI InChI=1S/C24H21N5O3S/c25-15-17-5-4-8-19(13-17)31-24(30)29-11-9-28(10-12-29)23-26-21(16-33-23)20-14-22(32-27-20)18-6-2-1-3-7-18/h1-8,13,16,22H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166911 (CHEMBL3799516) Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:23| Show InChI InChI=1S/C23H21N5O5S/c29-23(32-18-8-6-17(7-9-18)28(30)31)27-12-10-26(11-13-27)22-24-20(15-34-22)19-14-21(33-25-19)16-4-2-1-3-5-16/h1-9,15,21H,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166878 (CHEMBL3800599) Show SMILES Cc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21| Show InChI InChI=1S/C27H26N2O6/c30-24(18-5-9-20(10-6-18)28-13-15-34-16-14-28)17-35-27(33)19-7-11-21(12-8-19)29-25(31)22-3-1-2-4-23(22)26(29)32/h1-2,5-12,31-32H,3-4,13-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280795 ((S)-3-(2-{4-amino-2-[6- fluoro-1-(2-fluorobenzyl)-...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F2N7O3S/c1-28(2,27(40)41)11-16-13-42-26(33-16)29(3)20-22(32)34-24(35-23(20)36-25(29)39)21-17-9-8-15(30)10-19(17)38(37-21)12-14-6-4-5-7-18(14)31/h4-10,13H,11-12H2,1-3H3,(H,40,41)(H3,32,34,35,36,39)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280795 ((S)-3-(2-{4-amino-2-[6- fluoro-1-(2-fluorobenzyl)-...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F2N7O3S/c1-28(2,27(40)41)11-16-13-42-26(33-16)29(3)20-22(32)34-24(35-23(20)36-25(29)39)21-17-9-8-15(30)10-19(17)38(37-21)12-14-6-4-5-7-18(14)31/h4-10,13H,11-12H2,1-3H3,(H,40,41)(H3,32,34,35,36,39)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280822 ((S)-2-(3-(4-{4-amino-2- [1-(2-fluorobenzyl)-1H- py...) Show SMILES CC(C)(NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C33H31FN8O4/c1-32(2,31(45)46)40-23(43)15-12-18-10-13-20(14-11-18)33(3)24-26(35)37-28(38-27(24)39-30(33)44)25-21-8-6-16-36-29(21)42(41-25)17-19-7-4-5-9-22(19)34/h4-11,13-14,16H,12,15,17H2,1-3H3,(H,40,43)(H,45,46)(H3,35,37,38,39,44)/t33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280822 ((S)-2-(3-(4-{4-amino-2- [1-(2-fluorobenzyl)-1H- py...) Show SMILES CC(C)(NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C33H31FN8O4/c1-32(2,31(45)46)40-23(43)15-12-18-10-13-20(14-11-18)33(3)24-26(35)37-28(38-27(24)39-30(33)44)25-21-8-6-16-36-29(21)42(41-25)17-19-7-4-5-9-22(19)34/h4-11,13-14,16H,12,15,17H2,1-3H3,(H,40,43)(H,45,46)(H3,35,37,38,39,44)/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280911 (3-(2-{4-amino-2- [6-chloro-1-(2- fluoro-3-methyl- ...) Show SMILES Cc1cccc(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(Cl)cc23)c1F Show InChI InChI=1S/C30H27ClFN7O4/c1-14-6-5-7-15(21(14)32)12-39-19-10-16(31)8-9-18(19)22(38-39)25-35-23(33)20-24(36-25)37-26(40)30(20,4)27-34-17(13-43-27)11-29(2,3)28(41)42/h5-10,13H,11-12H2,1-4H3,(H,41,42)(H3,33,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280911 (3-(2-{4-amino-2- [6-chloro-1-(2- fluoro-3-methyl- ...) Show SMILES Cc1cccc(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3ccc(Cl)cc23)c1F Show InChI InChI=1S/C30H27ClFN7O4/c1-14-6-5-7-15(21(14)32)12-39-19-10-16(31)8-9-18(19)22(38-39)25-35-23(33)20-24(36-25)37-26(40)30(20,4)27-34-17(13-43-27)11-29(2,3)28(41)42/h5-10,13H,11-12H2,1-4H3,(H,41,42)(H3,33,35,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280904 (3-(2-{4-amino-2- [6-chloro-1-(2,3- difluorobenzyl)...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C29H24ClF2N7O4/c1-28(2,27(41)42)10-15-12-43-26(34-15)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-16-8-7-14(30)9-18(16)39(38-21)11-13-5-4-6-17(31)20(13)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280904 (3-(2-{4-amino-2- [6-chloro-1-(2,3- difluorobenzyl)...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C29H24ClF2N7O4/c1-28(2,27(41)42)10-15-12-43-26(34-15)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-16-8-7-14(30)9-18(16)39(38-21)11-13-5-4-6-17(31)20(13)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280876 (3-(2-{4-amino- 2-[1-(cyclohexyl- methyl)-1H- pyraz...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(CC2CCCCC2)c2ncccc12)C(O)=O Show InChI InChI=1S/C28H32N8O4/c1-27(2,26(38)39)12-16-14-40-25(31-16)28(3)18-20(29)32-22(33-21(18)34-24(28)37)19-17-10-7-11-30-23(17)36(35-19)13-15-8-5-4-6-9-15/h7,10-11,14-15H,4-6,8-9,12-13H2,1-3H3,(H,38,39)(H3,29,32,33,34,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280914 ((S)-3-(2-{4-amino- 2-[6-chloro-1- (2,3,6-trifluoro...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H23ClF3N7O3S/c1-28(2,27(42)43)9-13-11-44-26(35-13)29(3)19-22(34)36-24(37-23(19)38-25(29)41)21-14-5-4-12(30)8-18(14)40(39-21)10-15-16(31)6-7-17(32)20(15)33/h4-8,11H,9-10H2,1-3H3,(H,42,43)(H3,34,36,37,38,41)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280876 (3-(2-{4-amino- 2-[1-(cyclohexyl- methyl)-1H- pyraz...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(CC2CCCCC2)c2ncccc12)C(O)=O Show InChI InChI=1S/C28H32N8O4/c1-27(2,26(38)39)12-16-14-40-25(31-16)28(3)18-20(29)32-22(33-21(18)34-24(28)37)19-17-10-7-11-30-23(17)36(35-19)13-15-8-5-4-6-9-15/h7,10-11,14-15H,4-6,8-9,12-13H2,1-3H3,(H,38,39)(H3,29,32,33,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280914 ((S)-3-(2-{4-amino- 2-[6-chloro-1- (2,3,6-trifluoro...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H23ClF3N7O3S/c1-28(2,27(42)43)9-13-11-44-26(35-13)29(3)19-22(34)36-24(37-23(19)38-25(29)41)21-14-5-4-12(30)8-18(14)40(39-21)10-15-16(31)6-7-17(32)20(15)33/h4-8,11H,9-10H2,1-3H3,(H,42,43)(H3,34,36,37,38,41)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166870 (CHEMBL3797226) Show SMILES FC(F)(F)c1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:24| Show InChI InChI=1S/C29H29NO5/c31-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-35-29(34)22-14-16-23(17-15-22)30-27(32)24-8-4-5-9-25(24)28(30)33/h4-5,10-17,19,32-33H,1-3,6-9,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50166875 (CHEMBL3797377) Show SMILES Clc1cccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)c1 |t:22| Show InChI InChI=1S/C27H21NO5/c29-24(20-10-9-17-5-1-2-6-19(17)15-20)16-33-27(32)18-11-13-21(14-12-18)28-25(30)22-7-3-4-8-23(22)26(28)31/h1-6,9-15,30-31H,7-8,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E.I. Du Pont de Nemours and Company Curated by ChEMBL					Assay Description Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate ...				Bioorg Med Chem Lett 26: 2965-2973 (2016) Article DOI: 10.1016/j.bmcl.2016.02.061 BindingDB Entry DOI: 10.7270/Q2M32XNP
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280821 ((S)-(3-(4-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazo...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C31H27FN8O4/c1-31(19-11-8-17(9-12-19)10-13-22(41)35-15-23(42)43)24-26(33)36-28(37-27(24)38-30(31)44)25-20-6-4-14-34-29(20)40(39-25)16-18-5-2-3-7-21(18)32/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,35,41)(H,42,43)(H3,33,36,37,38,44)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280821 ((S)-(3-(4-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazo...) Show SMILES C[C@]1(C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)c1ccc(CCC(=O)NCC(O)=O)cc1 |r| Show InChI InChI=1S/C31H27FN8O4/c1-31(19-11-8-17(9-12-19)10-13-22(41)35-15-23(42)43)24-26(33)36-28(37-27(24)38-30(31)44)25-20-6-4-14-34-29(20)40(39-25)16-18-5-2-3-7-21(18)32/h2-9,11-12,14H,10,13,15-16H2,1H3,(H,35,41)(H,42,43)(H3,33,36,37,38,44)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50379543 (CHEMBL2012752) Show SMILES CC[C@@H](NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4...				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280918 ((S)-3-(2-{4-amino- 2-[6-fluoro-1-(3- fluorobenzyl)...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2cc(F)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F2N7O3S/c1-28(2,27(40)41)11-17-13-42-26(33-17)29(3)20-22(32)34-24(35-23(20)36-25(29)39)21-18-8-7-16(31)10-19(18)38(37-21)12-14-5-4-6-15(30)9-14/h4-10,13H,11-12H2,1-3H3,(H,40,41)(H3,32,34,35,36,39)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280918 ((S)-3-(2-{4-amino- 2-[6-fluoro-1-(3- fluorobenzyl)...) Show SMILES CC(C)(Cc1csc(n1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2cc(F)ccc12)C(O)=O |r| Show InChI InChI=1S/C29H25F2N7O3S/c1-28(2,27(40)41)11-17-13-42-26(33-17)29(3)20-22(32)34-24(35-23(20)36-25(29)39)21-18-8-7-16(31)10-19(18)38(37-21)12-14-5-4-6-15(30)9-14/h4-10,13H,11-12H2,1-3H3,(H,40,41)(H3,32,34,35,36,39)/t29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280824 ((5S,2S)-2-(3-(4-{4- amino-2-[1-(2- fluorobenzyl)-1...) Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C33H31FN8O4/c1-3-23(31(44)45)37-24(43)15-12-18-10-13-20(14-11-18)33(2)25-27(35)38-29(39-28(25)40-32(33)46)26-21-8-6-16-36-30(21)42(41-26)17-19-7-4-5-9-22(19)34/h4-11,13-14,16,23H,3,12,15,17H2,1-2H3,(H,37,43)(H,44,45)(H3,35,38,39,40,46)/t23-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280824 ((5S,2S)-2-(3-(4-{4- amino-2-[1-(2- fluorobenzyl)-1...) Show SMILES CC[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C33H31FN8O4/c1-3-23(31(44)45)37-24(43)15-12-18-10-13-20(14-11-18)33(2)25-27(35)38-29(39-28(25)40-32(33)46)26-21-8-6-16-36-30(21)42(41-26)17-19-7-4-5-9-22(19)34/h4-11,13-14,16,23H,3,12,15,17H2,1-2H3,(H,37,43)(H,44,45)(H3,35,38,39,40,46)/t23-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280823 ((5S)-(3-(4-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyr...) Show SMILES C[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C32H29FN8O4/c1-17(30(43)44)36-23(42)14-11-18-9-12-20(13-10-18)32(2)24-26(34)37-28(38-27(24)39-31(32)45)25-21-7-5-15-35-29(21)41(40-25)16-19-6-3-4-8-22(19)33/h3-10,12-13,15,17H,11,14,16H2,1-2H3,(H,36,42)(H,43,44)(H3,34,37,38,39,45)/t17-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280823 ((5S)-(3-(4-{4-amino-2-[1- (2-fluorobenzyl)-1H- pyr...) Show SMILES C[C@H](NC(=O)CCc1ccc(cc1)[C@]1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O |r| Show InChI InChI=1S/C32H29FN8O4/c1-17(30(43)44)36-23(42)14-11-18-9-12-20(13-10-18)32(2)24-26(34)37-28(38-27(24)39-31(32)45)25-21-7-5-15-35-29(21)41(40-25)16-19-6-3-4-8-22(19)33/h3-10,12-13,15,17H,11,14,16H2,1-2H3,(H,36,42)(H,43,44)(H3,34,37,38,39,45)/t17-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280740 (3-(2-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O Show InChI InChI=1S/C28H25FN8O4/c1-27(2,26(39)40)11-15-13-41-25(32-15)28(3)18-20(30)33-22(34-21(18)35-24(28)38)19-16-8-6-10-31-23(16)37(36-19)12-14-7-4-5-9-17(14)29/h4-10,13H,11-12H2,1-3H3,(H,39,40)(H3,30,33,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280740 (3-(2-{4-Amino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ncccc12)C(O)=O Show InChI InChI=1S/C28H25FN8O4/c1-27(2,26(39)40)11-15-13-41-25(32-15)28(3)18-20(30)33-22(34-21(18)35-24(28)38)19-16-8-6-10-31-23(16)37(36-19)12-14-7-4-5-9-17(14)29/h4-10,13H,11-12H2,1-3H3,(H,39,40)(H3,30,33,34,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280973 (4-Amino-2-[1-(2-fluorobenzyl)-1H-indazol-3-yl]-5-m...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ccccc12)c1nn[nH]n1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280973 (4-Amino-2-[1-(2-fluorobenzyl)-1H-indazol-3-yl]-5-m...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2ccccc12)c1nn[nH]n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280913 (3-(2-{4-amino-2- [6-chloro-1-(2,3,6- trifluorobenz...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C29H23ClF3N7O4/c1-28(2,27(42)43)9-13-11-44-26(35-13)29(3)19-22(34)36-24(37-23(19)38-25(29)41)21-14-5-4-12(30)8-18(14)40(39-21)10-15-16(31)6-7-17(32)20(15)33/h4-8,11H,9-10H2,1-3H3,(H,42,43)(H3,34,36,37,38,41)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280913 (3-(2-{4-amino-2- [6-chloro-1-(2,3,6- trifluorobenz...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12)C(O)=O Show InChI InChI=1S/C29H23ClF3N7O4/c1-28(2,27(42)43)9-13-11-44-26(35-13)29(3)19-22(34)36-24(37-23(19)38-25(29)41)21-14-5-4-12(30)8-18(14)40(39-21)10-15-16(31)6-7-17(32)20(15)33/h4-8,11H,9-10H2,1-3H3,(H,42,43)(H3,34,36,37,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50329261 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F |r| Show InChI InChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(H,27,28)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate after 4 hrs by FRET assay				Bioorg Med Chem Lett 21: 2030-3 (2011) Article DOI: 10.1016/j.bmcl.2011.02.010 BindingDB Entry DOI: 10.7270/Q24M94VB
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280945 (3-(2-{4-amino-2- [1-(3-fluoro- benzyl)-1H- indazol...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2ccccc12)C(O)=O Show InChI InChI=1S/C29H26FN7O4/c1-28(2,27(39)40)12-17-14-41-26(32-17)29(3)20-22(31)33-24(34-23(20)35-25(29)38)21-18-9-4-5-10-19(18)37(36-21)13-15-7-6-8-16(30)11-15/h4-11,14H,12-13H2,1-3H3,(H,39,40)(H3,31,33,34,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280945 (3-(2-{4-amino-2- [1-(3-fluoro- benzyl)-1H- indazol...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2)c2ccccc12)C(O)=O Show InChI InChI=1S/C29H26FN7O4/c1-28(2,27(39)40)12-17-14-41-26(32-17)29(3)20-22(31)33-24(34-23(20)35-25(29)38)21-18-9-4-5-10-19(18)37(36-21)13-15-7-6-8-16(30)11-15/h4-11,14H,12-13H2,1-3H3,(H,39,40)(H3,31,33,34,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50329261 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F |r| Show InChI InChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(H,27,28)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate by FRET assay				Bioorg Med Chem Lett 20: 6850-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.058 BindingDB Entry DOI: 10.7270/Q2222V01
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280924 (3-(2-{4-amino-2- [1-(2,3-difluoro- benzyl)-6-fluor...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C29H24F3N7O4/c1-28(2,27(41)42)10-15-12-43-26(34-15)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-16-8-7-14(30)9-18(16)39(38-21)11-13-5-4-6-17(31)20(13)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280924 (3-(2-{4-amino-2- [1-(2,3-difluoro- benzyl)-6-fluor...) Show SMILES CC(C)(Cc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2cccc(F)c2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C29H24F3N7O4/c1-28(2,27(41)42)10-15-12-43-26(34-15)29(3)19-22(33)35-24(36-23(19)37-25(29)40)21-16-8-7-14(30)9-18(16)39(38-21)11-13-5-4-6-17(31)20(13)32/h4-9,12H,10-11H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM280917 (4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-1H-...) Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C30H27F2N7O4/c1-29(2,28(41)42)11-10-17-14-43-27(34-17)30(3)21-23(33)35-25(36-24(21)37-26(30)40)22-18-9-8-16(31)12-20(18)39(38-22)13-15-6-4-5-7-19(15)32/h4-9,12,14H,10-11,13H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 μM DETA/NO and 400 _...				US Patent US10428076 (2019) BindingDB Entry DOI: 10.7270/Q22N54P9
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM280917 (4-(2-{4-amino-2- [6-fluoro-1-(2- fluorobenzyl)-1H-...) Show SMILES CC(C)(CCc1coc(n1)C1(C)C(=O)Nc2nc(nc(N)c12)-c1nn(Cc2ccccc2F)c2cc(F)ccc12)C(O)=O Show InChI InChI=1S/C30H27F2N7O4/c1-29(2,28(41)42)11-10-17-14-43-27(34-17)30(3)21-23(33)35-25(36-24(21)37-26(30)40)22-18-9-8-16(31)12-20(18)39(38-22)13-15-6-4-5-7-19(15)32/h4-9,12,14H,10-11,13H2,1-3H3,(H,41,42)(H3,33,35,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition bindi...				US Patent US10030027 (2018) BindingDB Entry DOI: 10.7270/Q22N549C
					More data for this Ligand-Target Pair

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