Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1/Isoform 1B of Growth hormone secretagogue receptor type 1 (1B)'   

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
Growth hormone secretagogue receptor type 1/Isoform 1B of Growth hormone secretagogue receptor type 1 (1B) (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1/Isoform 1B of Growth hormone secretagogue receptor type 1 (1B) (Homo sapiens (Human))	BDBM212436 (JMV 3002 | N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5...) Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2C(Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)c(OC)c1 Show InChI InChI=1S/C35H34N6O3/c1-43-27-17-16-25(32(21-27)44-2)23-41-33(18-15-24-10-4-3-5-11-24)39-40-34(41)31(38-35(42)30-14-8-9-19-36-30)20-26-22-37-29-13-7-6-12-28(26)29/h3-14,16-17,19,21-22,31,37H,15,18,20,23H2,1-2H3,(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	19.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1/Isoform 1B of Growth hormone secretagogue receptor type 1 (1B) (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	90.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1/Isoform 1B of Growth hormone secretagogue receptor type 1 (1B) (Homo sapiens (Human))	BDBM212438 (SPA | Substance P [DArg1, DTrp5,7,9, Leu11]) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCN=C(N)N)C(N)=O |wU:85.98,64.81,101.110,55.65,78.84,94.101,wD:41.56,30.40,8.12,16.28,4.4,(5.24,8.85,;5.24,7.31,;3.91,6.54,;6.57,6.54,;6.57,5,;7.91,4.23,;9.24,5,;9.24,6.54,;10.58,4.23,;11.91,5,;11.91,6.54,;13.24,7.31,;10.58,7.31,;10.58,2.69,;11.91,1.92,;13.24,2.69,;11.91,.38,;10.58,-.39,;10.18,-1.87,;10.8,-3.28,;9.66,-4.31,;8.33,-3.54,;6.86,-4.02,;5.72,-2.99,;6.04,-1.48,;7.5,-1.01,;8.65,-2.04,;13.24,-.39,;14.58,.38,;14.58,1.92,;15.91,-.39,;17.24,.38,;17.24,1.92,;15.91,2.69,;15.91,4.23,;17.24,5,;18.58,4.23,;18.58,2.69,;15.91,-1.93,;17.24,-2.7,;18.58,-1.93,;17.24,-4.24,;15.91,-5.01,;15.91,-6.55,;17.16,-7.45,;16.68,-8.92,;15.14,-8.92,;14.11,-10.06,;12.6,-9.74,;12.13,-8.28,;13.16,-7.13,;14.66,-7.45,;18.58,-5.01,;19.91,-4.24,;19.91,-2.7,;21.25,-5.01,;21.25,-6.55,;22.58,-7.32,;22.58,-8.86,;23.91,-9.63,;21.25,-9.63,;22.58,-4.24,;23.91,-5.01,;23.91,-6.55,;25.25,-4.24,;25.25,-2.7,;24.16,-1.61,;22.64,-1.85,;21.94,-.48,;23.03,.61,;22.95,2.15,;24.24,2.99,;25.61,2.29,;25.69,.75,;24.4,-.09,;26.58,-5.01,;27.91,-4.24,;27.91,-2.7,;29.25,-5.01,;29.41,-6.54,;30.91,-6.86,;31.68,-5.53,;30.65,-4.38,;30.97,-2.87,;29.83,-1.84,;32.44,-2.4,;33.58,-3.43,;35.05,-2.95,;36.19,-3.98,;37.66,-3.51,;38.8,-4.54,;32.76,-.89,;34.22,-.42,;35.37,-1.45,;34.54,1.09,;35.95,1.72,;35.79,3.25,;34.28,3.57,;33.51,2.23,;31.98,2.07,;31.36,.67,;31.08,3.32,;31.7,4.73,;29.55,3.16,;28.64,4.4,;29.27,5.81,;28.36,7.06,;28.99,8.46,;30.52,8.62,;28.08,9.71,;5.24,4.23,;3.91,5,;5.24,2.69,)| Show InChI InChI=1S/C81H110N20O12/c1-46(2)37-61(70(85)103)94-72(105)62(38-47(3)4)95-75(108)65(41-50-44-90-57-26-12-9-22-53(50)57)98-73(106)63(39-48-19-6-5-7-20-48)96-76(109)64(40-49-43-89-56-25-11-8-21-52(49)56)97-71(104)59(31-32-69(84)102)92-74(107)66(42-51-45-91-58-27-13-10-23-54(51)58)99-78(111)68-30-18-36-101(68)80(113)60(28-14-15-33-82)93-77(110)67-29-17-35-100(67)79(112)55(83)24-16-34-88-81(86)87/h5-13,19-23,25-27,43-47,55,59-68,89-91H,14-18,24,28-42,82-83H2,1-4H3,(H2,84,102)(H2,85,103)(H,92,107)(H,93,110)(H,94,105)(H,95,108)(H,96,109)(H,97,104)(H,98,106)(H,99,111)(H4,86,87,88)/t55-,59+,60+,61+,62+,63+,64-,65-,66-,67+,68+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair