Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 2721   

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
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281728 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281743 (US10023528, Example 35 | US10259776, Example 35) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC1CC1)CC(O)=O)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-4-7-18(25)8-5-15)23(33)30-20-11-16(6-9-19(20)26)17(12-21(31)32)10-14-2-3-14/h4-9,11,13-14,17,22H,2-3,10,12H2,1H3,(H,30,33)(H,31,32)/t13-,17?,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281730 (US10023528, Example 3 | US10023528, Example 4 | US...) Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281730 (US10023528, Example 3 | US10023528, Example 4 | US...) Show SMILES CC(C)C(C)(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C24H26Cl2F3NO3/c1-13(2)23(4,12-20(31)32)16-7-10-18(26)19(11-16)30-22(33)21(14(3)24(27,28)29)15-5-8-17(25)9-6-15/h5-11,13-14,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t14-,21+,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281732 (US10023528, Example 5 | US10023528, Example 6 | US...) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281732 (US10023528, Example 5 | US10023528, Example 6 | US...) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(C)(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3NO3/c1-14(25(28,29)30)22(15-6-9-18(26)10-7-15)23(34)31-20-12-17(8-11-19(20)27)24(2,13-21(32)33)16-4-3-5-16/h6-12,14,16,22H,3-5,13H2,1-2H3,(H,31,34)(H,32,33)/t14-,22+,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281734 (US10023528, Example 10 | US10259776, Example 10) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C(C)C)c1 |r| Show InChI InChI=1S/C26H31ClF3NO3/c1-14(2)17-6-8-18(9-7-17)24(16(5)26(28,29)30)25(34)31-22-12-19(10-11-21(22)27)20(15(3)4)13-23(32)33/h6-12,14-16,20,24H,13H2,1-5H3,(H,31,34)(H,32,33)/t16-,20?,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281735 (US10023528, Example 12 | US10259776, Example 12) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)C(C(C)C(F)(F)F)c2ccc(CC(F)(F)F)cc2)c1 Show InChI InChI=1S/C25H26ClF6NO3/c1-13(2)18(11-21(34)35)17-8-9-19(26)20(10-17)33-23(36)22(14(3)25(30,31)32)16-6-4-15(5-7-16)12-24(27,28)29/h4-10,13-14,18,22H,11-12H2,1-3H3,(H,33,36)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281736 (US10023528, Example 13 | US10259776, Example 13) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C2CC2(F)F)c1 |r| Show InChI InChI=1S/C26H27ClF5NO3/c1-13(2)18(11-22(34)35)17-8-9-20(27)21(10-17)33-24(36)23(14(3)26(30,31)32)16-6-4-15(5-7-16)19-12-25(19,28)29/h4-10,13-14,18-19,23H,11-12H2,1-3H3,(H,33,36)(H,34,35)/t14-,18?,19?,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281737 (US10023528, Example 14 | US10259776, Example 14) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(cc2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C27H33ClF3NO3/c1-15(2)20(14-23(33)34)18-9-12-21(28)22(13-18)32-25(35)24(16(3)27(29,30)31)17-7-10-19(11-8-17)26(4,5)6/h7-13,15-16,20,24H,14H2,1-6H3,(H,32,35)(H,33,34)/t16-,20?,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281738 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1CC1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281739 (US10023528, Example 25 | US10259776, Example 25) Show SMILES COC(C)(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C24H26Cl2F3NO4/c1-13(24(27,28)29)21(14-5-8-16(25)9-6-14)22(33)30-19-11-15(7-10-18(19)26)17(12-20(31)32)23(2,3)34-4/h5-11,13,17,21H,12H2,1-4H3,(H,30,33)(H,31,32)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281740 (US10023528, Example 27 | US10259776, Example 27) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1(F)CC1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H21Cl2F4NO3/c1-12(23(27,28)29)20(13-2-5-15(24)6-3-13)21(33)30-18-10-14(4-7-17(18)25)16(11-19(31)32)22(26)8-9-22/h2-7,10,12,16,20H,8-9,11H2,1H3,(H,30,33)(H,31,32)/t12-,16?,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281741 (3-(4-Chloro-3-{[(3R)-2-chlorophenyl)-4,4,4-trifluo...) Show SMILES CC(C(C1CC1)c1ccc(Cl)c(NC(=O)C([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1)C(O)=O |r| Show InChI InChI=1S/C24H24Cl2F3NO3/c1-12(23(32)33)20(14-3-4-14)16-7-10-18(26)19(11-16)30-22(31)21(13(2)24(27,28)29)15-5-8-17(25)9-6-15/h5-14,20-21H,3-4H2,1-2H3,(H,30,31)(H,32,33)/t12?,13-,20?,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281742 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES C[C@H]([C@H](C(=O)Nc1cc(ccc1Cl)C(CC(O)=O)C1CCC1)c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H24Cl2F3NO3/c1-13(24(27,28)29)22(15-5-8-17(25)9-6-15)23(33)30-20-11-16(7-10-19(20)26)18(12-21(31)32)14-3-2-4-14/h5-11,13-14,18,22H,2-4,12H2,1H3,(H,30,33)(H,31,32)/t13-,18?,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM281728 ((+)-3-(4-Chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4...) Show SMILES CC(C)C(CC(O)=O)c1ccc(Cl)c(NC(=O)[C@@H]([C@@H](C)C(F)(F)F)c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H24Cl2F3NO3/c1-12(2)17(11-20(30)31)15-6-9-18(25)19(10-15)29-22(32)21(13(3)23(26,27)28)14-4-7-16(24)8-5-14/h4-10,12-13,17,21H,11H2,1-3H3,(H,29,32)(H,30,31)/t13-,17?,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
Institut de Biologie Structurale					Assay Description Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described be...				J Med Chem 51: 1115-25 (2008) BindingDB Entry DOI: 10.7270/Q27083RX
					More data for this Ligand-Target Pair