Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50019645   

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
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206401 (CHEMBL246321 | N-((S)-1-amino-3-(4-hydroxyphenyl)-...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cccnc1 Show InChI InChI=1S/C32H37N5O3/c1-32(2,3)24-12-14-25(15-13-24)37-26(20-28(36-37)23-7-6-18-34-21-23)8-4-5-9-30(39)35-29(31(33)40)19-22-10-16-27(38)17-11-22/h6-7,10-18,20-21,29,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Displacement of [125I]-hCG from LH receptor				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206404 ((S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-y...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1ccncc1 Show InChI InChI=1S/C31H36N6O3/c1-31(2,3)23-8-10-24(11-9-23)37-28(20-26(36-37)22-14-17-33-18-15-22)34-16-4-5-29(39)35-27(30(32)40)19-21-6-12-25(38)13-7-21/h6-15,17-18,20,27,34,38H,4-5,16,19H2,1-3H3,(H2,32,40)(H,35,39)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206400 (CHEMBL247945 | N-((S)-1-amino-3-(4-hydroxyphenyl)-...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1-c1cccc(c1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cc2ccccc2cn1 Show InChI InChI=1S/C38H35N5O3/c1-38(2,3)29-13-15-30(16-14-29)43-35(22-33(42-43)32-21-25-7-4-5-8-28(25)23-40-32)26-9-6-10-27(20-26)37(46)41-34(36(39)45)19-24-11-17-31(44)18-12-24/h4-18,20-23,34,44H,19H2,1-3H3,(H2,39,45)(H,41,46)/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206405 ((S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-y...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(CCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1-c1ccncc1 Show InChI InChI=1S/C32H37N5O3/c1-32(2,3)24-10-12-26(13-11-24)37-29(23-16-18-34-19-17-23)21-25(36-37)6-4-5-7-30(39)35-28(31(33)40)20-22-8-14-27(38)15-9-22/h8-19,21,28,38H,4-7,20H2,1-3H3,(H2,33,40)(H,35,39)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206401 (CHEMBL246321 | N-((S)-1-amino-3-(4-hydroxyphenyl)-...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cccnc1 Show InChI InChI=1S/C32H37N5O3/c1-32(2,3)24-12-14-25(15-13-24)37-26(20-28(36-37)23-7-6-18-34-21-23)8-4-5-9-30(39)35-29(31(33)40)19-22-10-16-27(38)17-11-22/h6-7,10-18,20-21,29,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206397 ((S)-N-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-(1-(4-t...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C33H39N5O2/c1-33(2,3)26-13-15-28(16-14-26)38-29(23-30(37-38)25-17-19-35-20-18-25)11-7-8-12-32(40)36-27(22-31(34)39)21-24-9-5-4-6-10-24/h4-6,9-10,13-20,23,27H,7-8,11-12,21-22H2,1-3H3,(H2,34,39)(H,36,40)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206402 (CHEMBL439392 | N-((S)-1-amino-3-(3-hydroxyphenyl)-...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCCCC(=O)N[C@@H](Cc1cccc(O)c1)C(N)=O)-c1ccccn1 Show InChI InChI=1S/C33H40N6O3/c1-33(2,3)24-14-16-25(17-15-24)39-30(22-28(38-39)27-12-6-8-18-35-27)36-19-7-4-5-13-31(41)37-29(32(34)42)21-23-10-9-11-26(40)20-23/h6,8-12,14-18,20,22,29,36,40H,4-5,7,13,19,21H2,1-3H3,(H2,34,42)(H,37,41)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206399 (CHEMBL247700 | N-((S)-2-amino-1-(4-hydroxyphenyl)-...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1NCCCCCC(=O)N[C@H](C(N)=O)c1ccc(O)cc1)-c1ccccn1 Show InChI InChI=1S/C32H38N6O3/c1-32(2,3)23-13-15-24(16-14-23)38-28(21-27(37-38)26-9-6-8-19-34-26)35-20-7-4-5-10-29(40)36-30(31(33)41)22-11-17-25(39)18-12-22/h6,8-9,11-19,21,30,35,39H,4-5,7,10,20H2,1-3H3,(H2,33,41)(H,36,40)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206396 ((S)-2-{3-[2-(4-tert-butyl-phenyl)-5-pyridin-3-yl-2...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cccnc1 Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)22-8-10-23(11-9-22)35-24(18-26(34-35)21-5-4-16-32-19-21)12-15-28(37)33-27(29(31)38)17-20-6-13-25(36)14-7-20/h4-11,13-14,16,18-19,27,36H,12,15,17H2,1-3H3,(H2,31,38)(H,33,37)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206395 ((S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-y...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1ccncc1 Show InChI InChI=1S/C32H37N5O3/c1-32(2,3)24-10-12-25(13-11-24)37-26(21-28(36-37)23-16-18-34-19-17-23)6-4-5-7-30(39)35-29(31(33)40)20-22-8-14-27(38)15-9-22/h8-19,21,29,38H,4-7,20H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206403 (CHEMBL269261 | N-((S)-1-amino-3-(4-tert-butoxyphen...) Show SMILES CC(C)(C)Oc1ccc(C[C@H](NC(=O)CCCCNc2cc(nn2-c2ccc(cc2)C(C)(C)C)-c2cccnc2)C(N)=O)cc1 Show InChI InChI=1S/C36H46N6O3/c1-35(2,3)27-14-16-28(17-15-27)42-32(23-30(41-42)26-10-9-20-38-24-26)39-21-8-7-11-33(43)40-31(34(37)44)22-25-12-18-29(19-13-25)45-36(4,5)6/h9-10,12-20,23-24,31,39H,7-8,11,21-22H2,1-6H3,(H2,37,44)(H,40,43)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor (Homo sapiens (Human))	BDBM50206398 (CHEMBL429108 | N-(4-hydroxyphenethyl)-5-(1-(4-tert...) Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)NCCc1ccc(O)cc1)-c1cccnc1 Show InChI InChI=1S/C31H36N4O2/c1-31(2,3)25-12-14-26(15-13-25)35-27(21-29(34-35)24-7-6-19-32-22-24)8-4-5-9-30(37)33-20-18-23-10-16-28(36)17-11-23/h6-7,10-17,19,21-22,36H,4-5,8-9,18,20H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Merck Serono Geneva Research Center Curated by ChEMBL					Assay Description Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA				Bioorg Med Chem Lett 17: 2080-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.062 BindingDB Entry DOI: 10.7270/Q2VQ32B2
					More data for this Ligand-Target Pair