Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'koga' and Initial = 'h'   

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
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE 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
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta ring assessed as effect on high K+ induced contraction by Magnus method				Bioorg Med Chem Lett 18: 4813-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.096 BindingDB Entry DOI: 10.7270/Q208684R
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE 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
Ajinomoto Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Voltage-dependent L-type calcium channel in rat thoracic aorta ring				Bioorg Med Chem Lett 21: 3317-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.007 BindingDB Entry DOI: 10.7270/Q2N019CJ
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50101813 (CHEBI:31399 | Cilnidipine) Show SMILES COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC\C=C\c1ccccc1 |c:7,12| Show InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE 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
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421355 (CHEMBL289955) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:22.23,10.9,30.32,37.39,48.52,12.18,44.47,c:43,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C40H69NO11/c1-16-29-40(12,46-15)34(43)25(7)32-22(4)18-39(11,52-32)35(51-37-31(42)28(17-23(5)48-37)41(13)21(2)3)26(8)33(27(9)36(44)49-29)50-30-20-38(10,45-14)19-24(6)47-30/h21,23-31,33,35,37,42H,16-20H2,1-15H3/t23?,24?,25-,26?,27?,28?,29?,30-,31+,33?,35+,37?,38-,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421358 (CHEMBL45141) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2CC(CC(C)O2)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:10.9,22.23,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;4.37,1.16,;5.69,1.93,;7.02,1.16,;7.02,-.38,;8.36,-1.15,;5.69,-1.15,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C40H69NO10/c1-16-30-40(12,45-15)35(42)26(7)33-23(4)19-39(11,51-33)36(50-31-18-29(17-24(5)46-31)41(13)22(2)3)27(8)34(28(9)37(43)48-30)49-32-21-38(10,44-14)20-25(6)47-32/h22,24-32,34,36H,16-21H2,1-15H3/t24?,25?,26-,27?,28?,29?,30?,31?,32-,34?,36+,38-,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421357 (CHEMBL297168) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:46.51,12.12,wD:22.23,10.9,30.32,35.37,46.50,12.18,42.45,c:41,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C38H65NO11/c1-15-27-38(10,44-14)32(41)23(5)30-20(2)17-37(9,50-30)33(49-35-29(40)26(39(11)12)16-21(3)46-35)24(6)31(25(7)34(42)47-27)48-28-19-36(8,43-13)18-22(4)45-28/h21-29,31,33,35,40H,15-19H2,1-14H3/t21?,22?,23-,24?,25?,26?,27?,28-,29+,31?,33+,35?,36-,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421355 (CHEMBL289955) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:22.23,10.9,30.32,37.39,48.52,12.18,44.47,c:43,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;8.36,3.47,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C40H69NO11/c1-16-29-40(12,46-15)34(43)25(7)32-22(4)18-39(11,52-32)35(51-37-31(42)28(17-23(5)48-37)41(13)21(2)3)26(8)33(27(9)36(44)49-29)50-30-20-38(10,45-14)19-24(6)47-30/h21,23-31,33,35,37,42H,16-20H2,1-15H3/t23?,24?,25-,26?,27?,28?,29?,30-,31+,33?,35+,37?,38-,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475660 (CHEMBL201566) Show SMILES C\C(CO\C(O)=C1\C(C(C(O)=O)=C(C)N=C1C)c1cccc(Cl)c1)=C/c1ccccc1 |c:14,t:11| Show InChI InChI=1S/C25H24ClNO4/c1-15(12-18-8-5-4-6-9-18)14-31-25(30)22-17(3)27-16(2)21(24(28)29)23(22)19-10-7-11-20(26)13-19/h4-13,23,30H,14H2,1-3H3,(H,28,29)/b15-12+,25-22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421354 (CHEMBL26966) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)| Show InChI InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,31+,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421354 (CHEMBL26966) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(-2.8,-3.98,;-2.77,-2.44,;-1.44,-1.68,;-1.44,-3.21,;-.13,-3.98,;-.13,-5.53,;1.22,-3.21,;2.56,-3.98,;1.22,-1.68,;2.53,-2.46,;3.87,-3.23,;3.87,-4.75,;5.2,-5.53,;3.84,-6.29,;6.53,-6.3,;6.53,-7.84,;6.53,-4.78,;7.86,-5.54,;6.53,-3.23,;7.89,-2.46,;5.2,-2.46,;2.56,-.91,;3.89,-1.68,;2.56,.65,;3.89,1.43,;5.22,2.2,;6.58,1.44,;7.89,2.21,;9.24,1.44,;7.89,3.76,;6.55,4.53,;5.22,3.76,;3.87,4.5,;6.55,6.07,;5.22,6.83,;7.89,6.84,;9.22,6.07,;1.22,1.4,;2.56,2.17,;1.22,2.95,;-.11,3.72,;-.13,5.26,;-1.44,2.95,;-.67,1.61,;-1.44,1.4,;-2.94,1.8,;-2.77,.63,;-4.32,.63,;-2.77,-.91,;-3.87,-2.01,;-4.32,-.91,)| Show InChI InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,31+,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421356 (CHEMBL43313) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:22.23,10.9,30.32,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C39H67NO11/c1-15-28-39(11,45-14)33(42)24(6)31-21(3)18-38(10,51-31)34(50-36-30(41)27(40(12)16-2)17-22(4)47-36)25(7)32(26(8)35(43)48-28)49-29-20-37(9,44-13)19-23(5)46-29/h22-30,32,34,36,41H,15-20H2,1-14H3/t22?,23?,24-,25?,26?,27?,28?,29-,30+,32?,34+,36?,37-,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475658 (CHEMBL201984) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\C1CCCCC1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H28ClNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h6-7,10-12,14,17,22,29H,3-5,8-9,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421349 (CHEMBL265495) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)| Show InChI InChI=1S/C39H67NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31,33-34,36,41,43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421349 (CHEMBL265495) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)| Show InChI InChI=1S/C39H67NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31,33-34,36,41,43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421356 (CHEMBL43313) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:22.23,10.9,30.32,36.38,47.51,12.18,43.46,c:42,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;7.03,5.78,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C39H67NO11/c1-15-28-39(11,45-14)33(42)24(6)31-21(3)18-38(10,51-31)34(50-36-30(41)27(40(12)16-2)17-22(4)47-36)25(7)32(26(8)35(43)48-28)49-29-20-37(9,44-13)19-23(5)46-29/h22-30,32,34,36,41H,15-20H2,1-14H3/t22?,23?,24-,25?,26?,27?,28?,29-,30+,32?,34+,36?,37-,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421357 (CHEMBL297168) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@](C)(CC(C)O2)OC)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:46.51,12.12,wD:22.23,10.9,30.32,35.37,46.50,12.18,42.45,c:41,(-2.61,-6.72,;-2.99,-5.23,;-1.89,-4.14,;-2.12,-5.65,;-.83,-6.49,;-.86,-8.03,;.5,-5.68,;1.89,-6.35,;.31,-4.15,;1.64,-4.91,;2.97,-5.68,;2.97,-7.22,;4.3,-7.99,;2.96,-8.75,;5.63,-7.22,;5.63,-5.68,;6.96,-4.91,;4.3,-4.91,;4.7,-9.47,;3.6,-10.55,;1.75,-3.55,;3.03,-4.39,;1.75,-1.99,;3.03,-1.15,;4.37,-.38,;5.69,-1.15,;7.02,-.38,;8.36,-1.15,;7.02,1.16,;5.69,1.93,;4.37,1.16,;3.03,1.93,;5.69,3.47,;4.36,4.24,;7.03,4.24,;.33,-1.38,;1.42,-.28,;.54,.13,;-.75,.97,;-.74,2.51,;-2.07,.16,;-.97,-.93,;-1.86,-1.36,;-3.2,-.59,;-3.29,-1.97,;-4.57,-1.1,;-3.31,-3.51,;-4.08,-4.84,;-4.8,-3.1,;-5.9,-4.18,)| Show InChI InChI=1S/C38H65NO11/c1-15-27-38(10,44-14)32(41)23(5)30-20(2)17-37(9,50-30)33(49-35-29(40)26(39(11)12)16-21(3)46-35)24(6)31(25(7)34(42)47-27)48-28-19-36(8,43-13)18-22(4)45-28/h21-29,31,33,35,40H,15-19H2,1-14H3/t21?,22?,23-,24?,25?,26?,27?,28-,29+,31?,33+,35?,36-,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5052 (5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475653 (CHEMBL382528) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccc(Cl)cc1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H21Cl2NO4/c1-14-20(23(28)29)22(17-6-3-7-19(26)13-17)21(15(2)27-14)24(30)31-12-4-5-16-8-10-18(25)11-9-16/h3-11,13,22,30H,12H2,1-2H3,(H,28,29)/b5-4+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421351 (CHEMBL27424) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)| Show InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,34-,35+,37?,38+,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421351 (CHEMBL27424) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)| Show InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,34-,35+,37?,38+,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421349 (CHEMBL265495) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)| Show InChI InChI=1S/C39H67NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31,33-34,36,41,43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	2.5	25
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421349 (CHEMBL265495) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:48.53,12.12,wD:23.24,10.9,31.33,12.13,16.16,37.39,48.52,44.47,c:43,(-1.68,-4.26,;-1.66,-2.72,;-.32,-1.96,;-.32,-3.49,;.99,-4.26,;.99,-5.8,;2.32,-3.49,;3.67,-4.26,;2.34,-1.96,;3.66,-2.74,;4.99,-3.51,;4.99,-5.03,;6.31,-5.81,;4.96,-6.57,;7.65,-6.58,;7.65,-8.12,;7.65,-5.05,;8.99,-5.82,;7.65,-3.51,;8.99,-2.74,;6.32,-2.74,;3.67,-1.19,;5.01,-1.96,;3.68,.37,;5.01,1.15,;6.34,1.92,;7.68,1.16,;9.01,1.93,;10.34,1.16,;9.01,3.48,;7.67,4.25,;6.32,3.46,;4.99,4.25,;7.65,5.79,;6.32,6.55,;9,6.56,;8.99,8.1,;2.35,1.12,;3.68,1.89,;2.35,2.67,;1.01,3.44,;1.01,4.98,;-.32,2.67,;.45,1.33,;-.32,1.12,;-1.82,1.52,;-1.65,.35,;-3.2,.35,;-1.65,-1.19,;-2.75,-2.29,;-3.2,-1.19,;-3.97,-2.5,)| Show InChI InChI=1S/C39H67NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31,33-34,36,41,43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,33-,34+,36?,37+,38-,39+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475650 (CHEMBL203041) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C25H24ClNO4/c1-15-9-11-18(12-10-15)6-5-13-31-25(30)22-17(3)27-16(2)21(24(28)29)23(22)19-7-4-8-20(26)14-19/h4-12,14,23,30H,13H2,1-3H3,(H,28,29)/b6-5+,25-22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479255 (CHEMBL453084) Show SMILES CCC1=C(C(C(C(O)=O)=C(C)N1)c1cccc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |t:2,8| Show InChI InChI=1S/C25H24ClNO4/c1-3-20-23(25(30)31-14-8-11-17-9-5-4-6-10-17)22(18-12-7-13-19(26)15-18)21(24(28)29)16(2)27-20/h4-13,15,22,27H,3,14H2,1-2H3,(H,28,29)/b11-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta ring assessed as effect on high K+ induced contraction by Magnus method				Bioorg Med Chem Lett 18: 4813-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.096 BindingDB Entry DOI: 10.7270/Q208684R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421351 (CHEMBL27424) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)| Show InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,34-,35+,37?,38+,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	2.5	25
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421351 (CHEMBL27424) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:49.54,12.12,wD:23.24,10.9,31.33,12.13,16.16,38.40,49.53,45.48,c:44,(-1.28,-6.37,;-1.26,-4.82,;.08,-4.07,;.08,-5.6,;1.39,-6.36,;1.39,-7.9,;2.72,-5.6,;4.07,-6.37,;2.74,-4.07,;4.05,-4.84,;5.39,-5.61,;5.39,-7.14,;6.71,-7.91,;5.36,-8.67,;8.04,-8.68,;8.04,-10.23,;8.05,-7.15,;9.38,-7.93,;8.05,-5.61,;9.38,-4.84,;6.72,-4.84,;4.07,-3.3,;5.41,-4.07,;4.08,-1.74,;5.41,-.96,;6.74,-.17,;8.07,-.94,;9.41,-.17,;10.74,-.94,;9.41,1.37,;8.07,2.14,;6.72,1.36,;5.39,2.13,;8.05,3.69,;6.72,4.44,;9.4,4.46,;9.38,6,;10.73,3.69,;2.74,-.98,;4.08,-.21,;2.74,.56,;1.41,1.33,;1.4,2.88,;.08,.56,;.85,-.77,;.08,-.98,;-1.42,-.58,;-1.25,-1.75,;-2.8,-1.75,;-1.25,-3.3,;-2.35,-4.4,;-2.8,-3.3,;-3.58,-4.61,)| Show InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22?,23-,24?,25?,26?,27?,28?,29-,30+,32?,34-,35+,37?,38+,39-,40+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421350 (CHEMBL27419) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)| Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tis...				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421350 (CHEMBL27419) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)| Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	2.5	25
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421350 (CHEMBL27419) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)| Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	2.5	25
TBA Curated by ChEMBL					Assay Description Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution fo...				Bioorg Med Chem Lett 4: 1347-1352 (1994) Article DOI: 10.1016/S0960-894X(01)80359-0 BindingDB Entry DOI: 10.7270/Q2PR7X8T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5054 (5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-1,3-thia...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl Show InChI InChI=1S/C14H13Cl2N3O2S2/c1-8(2)12-13(16)19(3)14(22-12)18-23(20,21)11-6-10(15)5-4-9(11)7-17/h4-6,8H,1-3H3/b18-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475663 (CHEMBL202464) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1ccccc1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H23NO4/c1-16-20(23(26)27)22(19-13-7-4-8-14-19)21(17(2)25-16)24(28)29-15-9-12-18-10-5-3-6-11-18/h3-14,22,28H,15H2,1-2H3,(H,26,27)/b12-9+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Motilin receptor (Oryctolagus cuniculus)	BDBM50421350 (CHEMBL27419) Show SMILES CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)C)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC |wU:47.52,12.12,wD:23.24,10.9,31.33,12.13,16.16,36.38,47.51,43.46,c:42,(-1.7,-4.4,;-1.68,-2.85,;-.34,-2.09,;-.34,-3.62,;.97,-4.38,;.97,-5.92,;2.3,-3.62,;3.66,-4.4,;2.32,-2.09,;3.63,-2.86,;4.96,-3.63,;4.96,-5.17,;6.3,-5.94,;4.94,-6.69,;7.63,-6.71,;7.63,-8.25,;7.63,-5.18,;8.96,-5.95,;7.63,-3.63,;8.96,-2.86,;6.3,-2.86,;3.66,-1.32,;4.99,-2.09,;3.66,.23,;4.99,1.02,;6.32,1.79,;7.65,1.03,;8.99,1.8,;10.32,1.03,;8.99,3.34,;7.65,4.13,;6.3,3.34,;4.96,4.11,;7.63,5.66,;8.99,6.43,;6.3,6.42,;2.32,1,;3.66,1.77,;2.32,2.54,;.99,3.31,;.99,4.86,;-.34,2.54,;.43,1.21,;-.34,1,;-1.84,1.39,;-1.68,.23,;-3.22,.23,;-1.68,-1.32,;-2.77,-2.42,;-3.22,-1.32,;-3.99,-2.63,)| Show InChI InChI=1S/C38H65NO12/c1-15-26-38(10,45-14)31(41)21(4)29-19(2)17-37(9,51-29)33(50-35-28(40)25(39(11)12)16-20(3)46-35)22(5)30(23(6)34(43)48-26)49-27-18-36(8,44-13)32(42)24(7)47-27/h20-28,30,32-33,35,40,42H,15-18H2,1-14H3/t20?,21-,22?,23?,24?,25?,26?,27-,28+,30?,32-,33+,35?,36+,37-,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate				Bioorg Med Chem Lett 4: 1649-1654 (1994) Article DOI: 10.1016/S0960-894X(01)80583-7 BindingDB Entry DOI: 10.7270/Q2K075JS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5051 (5-Chloro-N-(4-chloro-5-isopropyl-3-methyl-13-thiaz...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14Cl2N2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5055 (N-(4-Chloro-5-isopropyl-3-methyl-1,3-thiazol-2(3H)...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl Show InChI InChI=1S/C15H13ClN4O2S2/c1-9(2)13-14(16)20(3)15(23-13)19-24(21,22)12-6-10(7-17)4-5-11(12)8-18/h4-6,9H,1-3H3/b19-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475664 (CHEMBL369934) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(Br)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H22BrNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5048 (5-Chloro-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-t...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C Show InChI InChI=1S/C15H16ClN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM5041 (N-(5-tert-Butyl-3,4-dimethyl-1,3-thiazol-2(3H)-yli...) Show SMILES Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C Show InChI InChI=1S/C15H19ClN2O3S2/c1-9-13(15(2,3)4)22-14(18(9)5)17-23(20,21)12-8-10(16)6-7-11(12)19/h6-8,19H,1-5H3/b17-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5053 (2,5-dicyano-N-[(2Z)-3,4-dimethyl-5-(propan-2-yl)-2...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C Show InChI InChI=1S/C16H16N4O2S2/c1-10(2)15-11(3)20(4)16(23-15)19-24(21,22)14-7-12(8-17)5-6-13(14)9-18/h5-7,10H,1-4H3/b19-16-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475672 (CHEMBL201057) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(I)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H22INO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM5052 (5-bromo-N-[(2Z)-4-chloro-3-methyl-5-(propan-2-yl)-...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl Show InChI InChI=1S/C13H14BrClN2O3S2/c1-7(2)11-12(15)17(3)13(21-11)16-22(19,20)10-6-8(14)4-5-9(10)18/h4-7,18H,1-3H3/b16-13-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475662 (CHEMBL201860) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OCc1ccc2ccccc2c1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C26H22ClNO4/c1-15-22(25(29)30)24(20-8-5-9-21(27)13-20)23(16(2)28-15)26(31)32-14-17-10-11-18-6-3-4-7-19(18)12-17/h3-13,24,31H,14H2,1-2H3,(H,29,30)/b26-23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM5050 (5-Bromo-2-cyano-N-(5-isopropyl-3,4-dimethyl-1,3-th...) Show SMILES CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C Show InChI InChI=1S/C15H16BrN3O2S2/c1-9(2)14-10(3)19(4)15(22-14)18-23(20,21)13-7-12(16)6-5-11(13)8-17/h5-7,9H,1-4H3/b18-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				Bioorg Med Chem 13: 949-61 (2005) Article DOI: 10.1016/j.bmc.2004.11.045 BindingDB Entry DOI: 10.7270/Q2C53J1Z
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475669 (CHEMBL382072) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H22ClNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta ring assessed as effect on high K+ induced contraction by Magnus method				Bioorg Med Chem Lett 18: 4813-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.096 BindingDB Entry DOI: 10.7270/Q208684R
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475669 (CHEMBL382072) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(Cl)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H22ClNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50475656 (CHEMBL201306) Show SMILES CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(F)c1)C(O)=O |c:4,t:1| Show InChI InChI=1S/C24H22FNO4/c1-15-20(23(27)28)22(18-11-6-12-19(25)14-18)21(16(2)26-15)24(29)30-13-7-10-17-8-4-3-5-9-17/h3-12,14,22,29H,13H2,1-2H3,(H,27,28)/b10-7+,24-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto company Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method				Bioorg Med Chem Lett 16: 798-802 (2006) Article DOI: 10.1016/j.bmcl.2005.11.021 BindingDB Entry DOI: 10.7270/Q2NP276R
					More data for this Ligand-Target Pair

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