Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8154   

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
Glucagon receptor (Homo sapiens (Human))	BDBM235136 (US9359339, 25) Show SMILES CCC[C@@H](C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H26ClF3N2O4S/c1-2-3-24(18-4-6-20(7-5-18)30(40)37-13-12-27(38)39)28(19-8-10-23(11-9-19)41-31(33,34)35)26-17-42-29-21(16-36)14-22(32)15-25(26)29/h4-11,14-15,17,24,28H,2-3,12-13H2,1H3,(H,37,40)(H,38,39)/t24-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235135 (US9359339, 23) Show SMILES CCC[C@@H](C(c1csc2c(cc(C)cc12)C#N)c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C32H29F3N2O4S/c1-3-4-25(20-5-7-22(8-6-20)31(40)37-14-13-28(38)39)29(21-9-11-24(12-10-21)41-32(33,34)35)27-18-42-30-23(17-36)15-19(2)16-26(27)30/h5-12,15-16,18,25,29H,3-4,13-14H2,1-2H3,(H,37,40)(H,38,39)/t25-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235137 (US9359339, 27) Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](CCC(F)(F)F)C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23Cl2F3N2O3S/c31-21-7-5-18(6-8-21)27(25-16-41-28-20(15-36)13-22(32)14-24(25)28)23(9-11-30(33,34)35)17-1-3-19(4-2-17)29(40)37-12-10-26(38)39/h1-8,13-14,16,23,27H,9-12H2,(H,37,40)(H,38,39)/t23-,27?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235138 (US9359339, 29) Show SMILES CCCC[C@@H](C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H28Cl2N2O3S/c1-2-3-4-25(19-5-7-21(8-6-19)31(38)35-14-13-28(36)37)29(20-9-11-23(32)12-10-20)27-18-39-30-22(17-34)15-24(33)16-26(27)30/h5-12,15-16,18,25,29H,2-4,13-14H2,1H3,(H,35,38)(H,36,37)/t25-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235134 (US9359339, 21) Show SMILES CCC[C@@H](C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C30H25Cl3N2O3S/c1-2-3-22(17-4-6-18(7-5-17)30(38)35-11-10-27(36)37)28(19-8-9-25(32)26(33)13-19)24-16-39-29-20(15-34)12-21(31)14-23(24)29/h4-9,12-14,16,22,28H,2-3,10-11H2,1H3,(H,35,38)(H,36,37)/t22-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235139 (US9359339, 32) Show SMILES CC(C)C[C@@H](C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H28Cl2N2O3S/c1-18(2)13-25(19-3-5-21(6-4-19)31(38)35-12-11-28(36)37)29(20-7-9-23(32)10-8-20)27-17-39-30-22(16-34)14-24(33)15-26(27)30/h3-10,14-15,17-18,25,29H,11-13H2,1-2H3,(H,35,38)(H,36,37)/t25-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235130 (US9359339, 13) Show SMILES CCC[C@@H](C(c1csc2c(cc(F)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C30H26ClFN2O3S/c1-2-3-24(18-4-6-20(7-5-18)30(37)34-13-12-27(35)36)28(19-8-10-22(31)11-9-19)26-17-38-29-21(16-33)14-23(32)15-25(26)29/h4-11,14-15,17,24,28H,2-3,12-13H2,1H3,(H,34,37)(H,35,36)/t24-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235131 (US9359339, 14) Show SMILES CCC[C@@H](C(c1csc2c(cc(C)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H29ClN2O3S/c1-3-4-25(20-5-7-22(8-6-20)31(37)34-14-13-28(35)36)29(21-9-11-24(32)12-10-21)27-18-38-30-23(17-33)15-19(2)16-26(27)30/h5-12,15-16,18,25,29H,3-4,13-14H2,1-2H3,(H,34,37)(H,35,36)/t25-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235132 (US9359339, 15) Show SMILES CCC[C@@H](C(c1csc2c(cc(cc12)C(F)(F)F)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H26ClF3N2O3S/c1-2-3-24(18-4-6-20(7-5-18)30(40)37-13-12-27(38)39)28(19-8-10-23(32)11-9-19)26-17-41-29-21(16-36)14-22(15-25(26)29)31(33,34)35/h4-11,14-15,17,24,28H,2-3,12-13H2,1H3,(H,37,40)(H,38,39)/t24-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235142 (US9359339, 45) Show SMILES CCC[C@@H](C(c1sc2ccccc2c1C)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C30H30ClNO3S/c1-3-6-25(20-9-11-22(12-10-20)30(35)32-18-17-27(33)34)28(21-13-15-23(31)16-14-21)29-19(2)24-7-4-5-8-26(24)36-29/h4-5,7-16,25,28H,3,6,17-18H2,1-2H3,(H,32,35)(H,33,34)/t25-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235129 (US9359339, 8) Show SMILES CCC[C@@H](C(c1c(C)sc2ccccc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C30H30ClNO3S/c1-3-6-24(20-9-11-22(12-10-20)30(35)32-18-17-27(33)34)29(21-13-15-23(31)16-14-21)28-19(2)36-26-8-5-4-7-25(26)28/h4-5,7-16,24,29H,3,6,17-18H2,1-2H3,(H,32,35)(H,33,34)/t24-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235126 (US9359339, 3) Show SMILES CCC[C@@H](C(c1csc2c(Br)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)Nc1nnn[nH]1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235127 (US9359339, 4) Show SMILES CCC[C@@H](C(c1csc2c(Br)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCc1nn[nH]n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235141 (US9359339, 43) Show SMILES CCC[C@@H](C(c1csc2c(Br)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCS(O)(=O)=O Show InChI InChI=1S/C29H29BrClNO4S2/c1-3-4-23(19-5-7-21(8-6-19)29(33)32-13-14-38(34,35)36)27(20-9-11-22(31)12-10-20)25-17-37-28-24(25)15-18(2)16-26(28)30/h5-12,15-17,23,27H,3-4,13-14H2,1-2H3,(H,32,33)(H,34,35,36)/t23-,27?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235125 (US9359339, 2) Show SMILES CCCC[C@@H](C(c1csc2c(cc(F)cc12)-c1ccnn1C)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C34H33ClFN3O3S/c1-3-4-5-26(21-6-8-23(9-7-21)34(42)37-16-15-31(40)41)32(22-10-12-24(35)13-11-22)29-20-43-33-27(29)18-25(36)19-28(33)30-14-17-38-39(30)2/h6-14,17-20,26,32H,3-5,15-16H2,1-2H3,(H,37,42)(H,40,41)/t26-,32?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235124 (US9359339, 1) Show SMILES CCC[C@@H](C(c1csc2c(cc(Cl)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C30H26Cl2N2O3S/c1-2-3-24(18-4-6-20(7-5-18)30(37)34-13-12-27(35)36)28(19-8-10-22(31)11-9-19)26-17-38-29-21(16-33)14-23(32)15-25(26)29/h4-11,14-15,17,24,28H,2-3,12-13H2,1H3,(H,34,37)(H,35,36)/t24-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235133 (US9359339, 19) Show SMILES CCC[C@@H](C(c1c(C)sc2c(cc(Cl)cc12)C#N)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C31H28Cl2N2O3S/c1-3-4-25(19-5-7-21(8-6-19)31(38)35-14-13-27(36)37)29(20-9-11-23(32)12-10-20)28-18(2)39-30-22(17-34)15-24(33)16-26(28)30/h5-12,15-16,25,29H,3-4,13-14H2,1-2H3,(H,35,38)(H,36,37)/t25-,29?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235140 (US9359339, 40) Show SMILES CCC[C@@H](C(c1csc2c(Br)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCC(F)(F)C(O)=O Show InChI InChI=1S/C30H27BrClF2NO3S/c1-3-4-22(18-5-7-20(8-6-18)28(36)35-16-30(33,34)29(37)38)26(19-9-11-21(32)12-10-19)24-15-39-27-23(24)13-17(2)14-25(27)31/h5-15,22,26H,3-4,16H2,1-2H3,(H,35,36)(H,37,38)/t22-,26?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM235128 (US9359339, 6) Show SMILES CCC[C@@H](C(c1csc2c(C)cc(Cl)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C30H29Cl2NO3S/c1-3-4-24(19-5-7-21(8-6-19)30(36)33-14-13-27(34)35)28(20-9-11-22(31)12-10-20)26-17-37-29-18(2)15-23(32)16-25(26)29/h5-12,15-17,24,28H,3-4,13-14H2,1-2H3,(H,33,36)(H,34,35)/t24-,28?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 27...				US Patent US9359339 (2016) BindingDB Entry DOI: 10.7270/Q2FQ9VHC
					More data for this Ligand-Target Pair