Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 3276   

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
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396265 (US10314827, Compound 1 | US10314827, Compound 9) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:32| Show InChI InChI=1S/C28H43NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-19,21-22,24-26,29H,5-15H2,1-4H3/t16-,18+,19+,21-,22-,24-,25+,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396285 (US10314827, Compound 55) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C1C)NS(C)(=O)=O |r,c:31| Show InChI InChI=1S/C28H46N2O3S/c1-16-12-25-26(29-15-16)18(3)28(33-25)11-9-21-22-7-6-19-13-20(30-34(5,31)32)8-10-27(19,4)24(22)14-23(21)17(28)2/h16,18-22,24-26,29-30H,6-15H2,1-5H3/t16-,18+,19+,20+,21-,22-,24-,25+,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396266 (US10314827, Compound 7 | US10314827, Compound 8) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OCc1ccccc1 |r,t:29,42| Show InChI InChI=1S/C43H55NO4/c1-28-21-39-40(44(25-28)41(45)47-27-32-13-9-6-10-14-32)30(3)43(48-39)20-18-35-36-16-15-33-22-34(46-26-31-11-7-5-8-12-31)17-19-42(33,4)38(36)23-37(35)29(2)24-43/h5-15,28,30,34-36,38-40H,16-27H2,1-4H3/t28-,30+,34-,35-,36-,38-,39+,40-,42-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396265 (US10314827, Compound 1 | US10314827, Compound 9) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:32| Show InChI InChI=1S/C28H43NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-19,21-22,24-26,29H,5-15H2,1-4H3/t16-,18+,19+,21-,22-,24-,25+,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396269 (US10314827, Compound 10) Show SMILES CC(C)N1C[C@@H](C)C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6CC(=O)CC[C@]6(C)[C@H]5CC4=C(C)C3)[C@H](C)[C@H]12 |r,t:30| Show InChI InChI=1S/C31H49NO2/c1-18(2)32-17-19(3)13-28-29(32)21(5)31(34-28)12-10-24-25-8-7-22-14-23(33)9-11-30(22,6)27(25)15-26(24)20(4)16-31/h18-19,21-22,24-25,27-29H,7-17H2,1-6H3/t19-,21+,22+,24-,25-,27-,28+,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396270 (US10314827, Compound 13) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNCC(=O)c2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:45| Show InChI InChI=1S/C38H54N2O3/c1-24-18-35-36(40(23-24)17-16-39-22-34(42)27-8-6-5-7-9-27)26(3)38(43-35)15-13-30-31-11-10-28-19-29(41)12-14-37(28,4)33(31)20-32(30)25(2)21-38/h5-9,24,26,28,30-31,33,35-36,39H,10-23H2,1-4H3/t24-,26+,28+,30-,31-,33-,35+,36-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396271 (US10314827, Compound 20) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C)O[C@]11CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:24,37| Show InChI InChI=1S/C32H50N2O2/c1-20-15-29-30(34(19-20)14-13-33(5)6)22(3)32(36-29)12-10-25-26-8-7-23-16-24(35)9-11-31(23,4)28(26)17-27(25)21(2)18-32/h16,20,22,25-26,28-30H,7-15,17-19H2,1-6H3/t20-,22+,25-,26-,28-,29+,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396272 (US10314827, Compound 21) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:38| Show InChI InChI=1S/C32H50N2O3/c1-19-14-29-30(34(18-19)13-12-33-22(4)35)21(3)32(37-29)11-9-25-26-7-6-23-15-24(36)8-10-31(23,5)28(26)16-27(25)20(2)17-32/h19,21,23,25-26,28-30H,6-18H2,1-5H3,(H,33,35)/t19-,21+,23+,25-,26-,28-,29+,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396273 (US10314827, Compound 22) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(C)=O)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:39| Show InChI InChI=1S/C33H52N2O3/c1-20-15-30-31(35(19-20)14-13-34(6)23(4)36)22(3)33(38-30)12-10-26-27-8-7-24-16-25(37)9-11-32(24,5)29(27)17-28(26)21(2)18-33/h20,22,24,26-27,29-31H,7-19H2,1-6H3/t20-,22+,24+,26-,27-,29-,30+,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396274 (US10314827, Compound 23) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCNC(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:46| Show InChI InChI=1S/C39H56N2O3/c1-25-20-35-37(41(24-25)19-18-40-36(43)13-10-28-8-6-5-7-9-28)27(3)39(44-35)17-15-31-32-12-11-29-21-30(42)14-16-38(29,4)34(32)22-33(31)26(2)23-39/h5-9,25,27,29,31-32,34-35,37H,10-24H2,1-4H3,(H,40,43)/t25-,27+,29+,31-,32-,34-,35+,37-,38-,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396275 (US10314827, Compound 24) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2CCN(C)C(=O)CCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:47| Show InChI InChI=1S/C40H58N2O3/c1-26-21-36-38(42(25-26)20-19-41(5)37(44)14-11-29-9-7-6-8-10-29)28(3)40(45-36)18-16-32-33-13-12-30-22-31(43)15-17-39(30,4)35(33)23-34(32)27(2)24-40/h6-10,26,28,30,32-33,35-36,38H,11-25H2,1-5H3/t26-,28+,30+,32-,33-,35-,36+,38-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396276 (US10314827, Compound 27 | US10314827, Compound 33) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:43| Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27+,28-,29-,31-,32+,33-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396277 (US10314827, Compound 29) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:43| Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27-,28-,29-,31-,32+,33-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396278 (US10314827, Compound 31) Show SMILES CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C |r,c:9| Show InChI InChI=1S/C29H47NO2/c1-17-12-26-27(30-16-17)19(3)29(32-26)11-9-22-23-7-6-20-13-21(31-5)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396276 (US10314827, Compound 27 | US10314827, Compound 33) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC2=C(C)C1 |r,t:43| Show InChI InChI=1S/C36H51NO4/c1-22-16-32-33(37(20-22)34(39)40-21-25-8-6-5-7-9-25)24(3)36(41-32)15-13-28-29-11-10-26-17-27(38)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26-29,31-33,38H,10-21H2,1-4H3/t22-,24+,26+,27+,28-,29-,31-,32+,33-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396280 (US10314827, Compound 35) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(C)=O |r,t:31| Show InChI InChI=1S/C30H47NO3/c1-17-12-27-28(31-16-17)19(3)30(34-27)11-9-23-24-7-6-21-13-22(33-20(4)32)8-10-29(21,5)26(24)14-25(23)18(2)15-30/h17,19,21-24,26-28,31H,6-16H2,1-5H3/t17-,19+,21+,22-,23-,24-,26-,27+,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396281 (US10314827, Compound 37) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC2=C(C)C1)=NO |r,w:40.47,t:42| Show InChI InChI=1S/C36H50N2O4/c1-22-16-32-33(38(20-22)34(39)41-21-25-8-6-5-7-9-25)24(3)36(42-32)15-13-28-29-11-10-26-17-27(37-40)12-14-35(26,4)31(29)18-30(28)23(2)19-36/h5-9,22,24,26,28-29,31-33,40H,10-21H2,1-4H3/t22-,24+,26+,28-,29-,31-,32+,33-,35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396282 (US10314827, Compound 39) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CNCc1ccccc1 |r,t:42| Show InChI InChI=1S/C45H60N2O5/c1-29-21-40-42(47(27-29)43(49)50-28-33-13-9-6-10-14-33)31(3)45(52-40)20-18-36-37-16-15-34-22-35(51-41(48)26-46-25-32-11-7-5-8-12-32)17-19-44(34,4)39(37)23-38(36)30(2)24-45/h5-14,29,31,34-37,39-40,42,46H,15-28H2,1-4H3/t29-,31+,34+,35+,36-,37-,39-,40+,42-,44-,45-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396283 (US10314827, Compound 40) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OC(=O)CN |r,t:31| Show InChI InChI=1S/C30H48N2O3/c1-17-11-26-28(32-16-17)19(3)30(35-26)10-8-22-23-6-5-20-12-21(34-27(33)15-31)7-9-29(20,4)25(23)13-24(22)18(2)14-30/h17,19-23,25-26,28,32H,5-16,31H2,1-4H3/t17-,19+,20+,21-,22-,23-,25-,26+,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM50293788 (CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31| Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	<20	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM396266 (US10314827, Compound 7 | US10314827, Compound 8) Show SMILES C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(=O)OCc2ccccc2)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)OCc1ccccc1 |r,t:29,42| Show InChI InChI=1S/C43H55NO4/c1-28-21-39-40(44(25-28)41(45)47-27-32-13-9-6-10-14-32)30(3)43(48-39)20-18-35-36-16-15-33-22-34(46-26-31-11-7-5-8-12-31)17-19-42(33,4)38(36)23-37(35)29(2)24-43/h5-15,28,30,34-36,38-40H,16-27H2,1-4H3/t28-,30+,34-,35-,36-,38-,39+,40-,42-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml)...				Bioorg Med Chem Lett 18: 1994-9 (2008) BindingDB Entry DOI: 10.7270/Q2QR50GW
					More data for this Ligand-Target Pair