Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50028826   

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
Motilin receptor (Oryctolagus cuniculus)	BDBM50268430 ((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...) Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C28H40N4O4/c1-17(2)24(32(6)27(36)21(29)15-18-10-8-7-9-11-18)26(35)31-22(25(30)34)16-19-12-13-23(33)20(14-19)28(3,4)5/h7-14,17,21-22,24,33H,15-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t21-,22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268433 ((S)-2-((S)-2-amino-N-methyl-3-phenylpropanamido)-N...) Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(O)c(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H41N3O3/c1-18(2)25(31(7)27(34)23(29)17-20-11-9-8-10-12-20)26(33)30-19(3)15-21-13-14-24(32)22(16-21)28(4,5)6/h8-14,16,18-19,23,25,32H,15,17,29H2,1-7H3,(H,30,33)/t19-,23+,25+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268432 ((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...) Show SMILES CC(C)[C@H](N(C)C(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C29H42N4O4/c1-18(2)25(33(7)27(36)22(30)16-19-11-9-8-10-12-19)28(37)32(6)23(26(31)35)17-20-13-14-24(34)21(15-20)29(3,4)5/h8-15,18,22-23,25,34H,16-17,30H2,1-7H3,(H2,31,35)/t22-,23-,25-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268377 ((S)-2-amino-N-((S)-1-((S)-1-amino-3-(3-tert-butyl-...) Show SMILES CC(C)(C)c1cc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2ccccc2)C(N)=O)ccc1O |r| Show InChI InChI=1S/C31H38N4O4/c1-31(2,3)23-16-22(14-15-27(23)36)19-25(28(33)37)34-30(39)26(18-21-12-8-5-9-13-21)35-29(38)24(32)17-20-10-6-4-7-11-20/h4-16,24-26,36H,17-19,32H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t24-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268378 ((S)-2-amino-N-((3S,6S)-3-(3-tert-butyl-4-hydroxybe...) Show SMILES CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@H](CCCCCC(=O)CCNC2=O)NC(=O)[C@@H](N)Cc2ccccc2)ccc1O |r| Show InChI InChI=1S/C32H44N4O5/c1-32(2,3)24-18-22(14-15-28(24)38)20-27-30(40)34-17-16-23(37)12-8-5-9-13-26(31(41)36-27)35-29(39)25(33)19-21-10-6-4-7-11-21/h4,6-7,10-11,14-15,18,25-27,38H,5,8-9,12-13,16-17,19-20,33H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)/t25-,26-,27-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268376 ((S)-2-amino-N-((S)-2-((S)-1-amino-3-(3-tert-butyl-...) Show SMILES CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)c2ccccc2)C(N)=O)ccc1O |r| Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)22-16-20(14-15-25(22)35)18-24(27(32)36)33-29(38)26(21-12-8-5-9-13-21)34-28(37)23(31)17-19-10-6-4-7-11-19/h4-16,23-24,26,35H,17-18,31H2,1-3H3,(H2,32,36)(H,33,38)(H,34,37)/t23-,24-,26-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268431 ((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C28H40N4O4/c1-17(2)24(31-26(35)21(29)15-18-10-8-7-9-11-18)27(36)32(6)22(25(30)34)16-19-12-13-23(33)20(14-19)28(3,4)5/h7-14,17,21-22,24,33H,15-16,29H2,1-6H3,(H2,30,34)(H,31,35)/t21-,22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268429 ((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C28H40N4O4/c1-17(2)13-23(32-26(35)21(29)15-18-9-7-6-8-10-18)27(36)31-22(25(30)34)16-19-11-12-24(33)20(14-19)28(3,4)5/h6-12,14,17,21-23,33H,13,15-16,29H2,1-5H3,(H2,30,34)(H,31,36)(H,32,35)/t21-,22-,23-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268428 ((S)-N-((S)-1-amino-3-(3-tert-butyl-4-hydroxyphenyl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C27H38N4O4/c1-16(2)23(31-25(34)20(28)14-17-9-7-6-8-10-17)26(35)30-21(24(29)33)15-18-11-12-22(32)19(13-18)27(3,4)5/h6-13,16,20-21,23,32H,14-15,28H2,1-5H3,(H2,29,33)(H,30,35)(H,31,34)/t20-,21-,23-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50268427 ((S)-2-amino-N-((S)-1-((S)-1-amino-3-(3-tert-butyl-...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c(c1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C25H34N4O4/c1-15(28-24(33)19(26)13-16-8-6-5-7-9-16)23(32)29-20(22(27)31)14-17-10-11-21(30)18(12-17)25(2,3)4/h5-12,15,19-20,30H,13-14,26H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)/t15-,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate				Bioorg Med Chem Lett 19: 3426-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.059 BindingDB Entry DOI: 10.7270/Q2445MCH
					More data for this Ligand-Target Pair