Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'witkus' and Initial = 'm'   

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 (Homo sapiens (Human))	BDBM50143028 (8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143032 (8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...) Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143038 (8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:30| Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143039 (8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...) Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143037 (CHEMBL411576 | MOTILIN) Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50344952 ((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)| Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143031 (8'N-[1-carbamoyl-3-phenyl-(1R)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143033 (CHEMBL46272 | methyl 2-[2'-benzo[d][1,3]dioxol-5-y...) Show SMILES COC(=O)[C@@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:18| Show InChI InChI=1S/C30H33N5O7/c1-40-27(37)22(9-7-20-5-3-2-4-6-20)32-26(36)23-11-12-30(13-15-31-16-14-30)35-29(39)33(28(38)34(23)35)18-21-8-10-24-25(17-21)42-19-41-24/h2-6,8,10-12,17,22-23,31H,7,9,13-16,18-19H2,1H3,(H,32,36)/t22-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143034 (8'N-[1-carbamoyl-3-phenyl-(1S)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143034 (8'N-[1-carbamoyl-3-phenyl-(1S)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50344942 (CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Motilin receptor (Homo sapiens (Human))	BDBM50143034 (8'N-[1-carbamoyl-3-phenyl-(1S)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	560	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143034 (8'N-[1-carbamoyl-3-phenyl-(1S)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143033 (CHEMBL46272 | methyl 2-[2'-benzo[d][1,3]dioxol-5-y...) Show SMILES COC(=O)[C@@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:18| Show InChI InChI=1S/C30H33N5O7/c1-40-27(37)22(9-7-20-5-3-2-4-6-20)32-26(36)23-11-12-30(13-15-31-16-14-30)35-29(39)33(28(38)34(23)35)18-21-8-10-24-25(17-21)42-19-41-24/h2-6,8,10-12,17,22-23,31H,7,9,13-16,18-19H2,1H3,(H,32,36)/t22-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143037 (CHEMBL411576 | MOTILIN) Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCSC)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(O)=O Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143032 (8'N-[1-(1-carbamoyl-3-phenylpropylcarbamoyl)-3-phe...) Show SMILES NC(=O)C(CCc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50344952 ((2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R...) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)| Show InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143028 (8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1	PDB Reactome pathway 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	0.0470	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143038 (8'N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]...) Show SMILES NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:30| Show InChI InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1	PDB Reactome pathway 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	0.220	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143029 (8'N-[1-carbamoyl-(1S)-ethyl]-2'-benzo[d][1,3]dioxo...) Show SMILES C[C@H](NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O)C(N)=O |c:6| Show InChI InChI=1S/C22H26N6O6/c1-13(18(23)29)25-19(30)15-4-5-22(6-8-24-9-7-22)28-21(32)26(20(31)27(15)28)11-14-2-3-16-17(10-14)34-12-33-16/h2-5,10,13,15,24H,6-9,11-12H2,1H3,(H2,23,29)(H,25,30)/t13-,15?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143040 (8'N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-2'-benzo[d][...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:16| Show InChI InChI=1S/C28H30N6O6/c29-24(35)20(14-18-4-2-1-3-5-18)31-25(36)21-8-9-28(10-12-30-13-11-28)34-27(38)32(26(37)33(21)34)16-19-6-7-22-23(15-19)40-17-39-22/h1-9,15,20-21,30H,10-14,16-17H2,(H2,29,35)(H,31,36)/t20-,21?/m0/s1	PDB Reactome pathway 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+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143039 (8'N-[1-[1-carbamoyl-3-phenyl-(1R)-propylcarbamoyl]...) Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1CCC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O Show InChI InChI=1S/C39H45N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16,23,29-31,41H,11-12,14-15,17-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143036 (8'N-[1-carbamoyl-2-phenyl-(1R)-ethyl]-2'-benzo[d][...) Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:16| Show InChI InChI=1S/C28H30N6O6/c29-24(35)20(14-18-4-2-1-3-5-18)31-25(36)21-8-9-28(10-12-30-13-11-28)34-27(38)32(26(37)33(21)34)16-19-6-7-22-23(15-19)40-17-39-22/h1-9,15,20-21,30H,10-14,16-17H2,(H2,29,35)(H,31,36)/t20-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50143035 (8'N-[1-carbamoyl-(1R)-ethyl]-2'-benzo[d][1,3]dioxo...) Show SMILES C[C@@H](NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O)C(N)=O |c:6| Show InChI InChI=1S/C22H26N6O6/c1-13(18(23)29)25-19(30)15-4-5-22(6-8-24-9-7-22)28-21(32)26(20(31)27(15)28)11-14-2-3-16-17(10-14)34-12-33-16/h2-5,10,13,15,24H,6-9,11-12H2,1H3,(H2,23,29)(H,25,30)/t13-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50344942 (CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Motilin receptor (Homo sapiens (Human))	BDBM50143031 (8'N-[1-carbamoyl-3-phenyl-(1R)-propyl]-2'-benzo[d]...) Show SMILES NC(=O)[C@@H](CCc1ccccc1)NC(=O)C1C=CC2(CCNCC2)n2n1c(=O)n(Cc1ccc3OCOc3c1)c2=O |c:17| Show InChI InChI=1S/C29H32N6O6/c30-25(36)21(8-6-19-4-2-1-3-5-19)32-26(37)22-10-11-29(12-14-31-15-13-29)35-28(39)33(27(38)34(22)35)17-20-7-9-23-24(16-20)41-18-40-23/h1-5,7,9-11,16,21-22,31H,6,8,12-15,17-18H2,(H2,30,36)(H,32,37)/t21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro effective concentration towards human motilin receptor				J Med Chem 47: 1704-8 (2004) Article DOI: 10.1021/jm0304865 BindingDB Entry DOI: 10.7270/Q2571CRC
					More data for this Ligand-Target Pair