Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50035047   

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 (Homo sapiens (Human))	BDBM50083979 (CHEMBL540604 | N-(6-Amino-hexyl)-2-(4-oxo-2-phenet...) Show SMILES NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(cc2c1=O)-c1ccccc1 Show InChI InChI=1S/C30H34N4O2/c31-19-9-1-2-10-20-32-29(35)22-34-28(18-15-23-11-5-3-6-12-23)33-27-17-16-25(21-26(27)30(34)36)24-13-7-4-8-14-24/h3-8,11-14,16-17,21H,1-2,9-10,15,18-20,22,31H2,(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083975 (CHEMBL536706 | N-(5-Amino-pentyl)-2-(4-oxo-2-phene...) Show SMILES NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(cc2c1=O)-c1ccccc1 Show InChI InChI=1S/C29H32N4O2/c30-18-8-3-9-19-31-28(34)21-33-27(17-14-22-10-4-1-5-11-22)32-26-16-15-24(20-25(26)29(33)35)23-12-6-2-7-13-23/h1-2,4-7,10-13,15-16,20H,3,8-9,14,17-19,21,30H2,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083973 (CHEMBL539575 | N-(6-Amino-hexyl)-2-(6-bromo-4-oxo-...) Show SMILES NCCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O Show InChI InChI=1S/C24H29BrN4O2/c25-19-11-12-21-20(16-19)24(31)29(17-23(30)27-15-7-2-1-6-14-26)22(28-21)13-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,16H,1-2,6-7,10,13-15,17,26H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083978 (CHEMBL558181 | N-(6-Amino-hexyl)-2-(2-naphthalen-2...) Show SMILES NCCCCCCNC(=O)Cn1c(nc2ccc(cc2c1=O)-c1ccccc1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C32H32N4O2/c33-18-8-1-2-9-19-34-30(37)22-36-31(27-15-14-24-12-6-7-13-25(24)20-27)35-29-17-16-26(21-28(29)32(36)38)23-10-4-3-5-11-23/h3-7,10-17,20-21H,1-2,8-9,18-19,22,33H2,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083982 (CHEMBL540603 | N-(5-Amino-pentyl)-2-(6-bromo-4-oxo...) Show SMILES NCCCCCNC(=O)Cn1c(CCc2ccccc2)nc2ccc(Br)cc2c1=O Show InChI InChI=1S/C23H27BrN4O2/c24-18-10-11-20-19(15-18)23(30)28(16-22(29)26-14-6-2-5-13-25)21(27-20)12-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14,16,25H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083981 (CHEMBL538068 | N-(5-Amino-pentyl)-2-(2-naphthalen-...) Show SMILES NCCCCCNC(=O)Cn1c(nc2ccc(cc2c1=O)-c1ccccc1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H30N4O2/c32-17-7-2-8-18-33-29(36)21-35-30(26-14-13-23-11-5-6-12-24(23)19-26)34-28-16-15-25(20-27(28)31(35)37)22-9-3-1-4-10-22/h1,3-6,9-16,19-20H,2,7-8,17-18,21,32H2,(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083976 (CHEMBL536779 | N-(6-Amino-hexyl)-2-(6-bromo-2-naph...) Show SMILES NCCCCCCNC(=O)Cn1c(nc2ccc(Br)cc2c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27BrN4O2/c27-21-11-12-23-22(16-21)26(33)31(17-24(32)29-14-6-2-1-5-13-28)25(30-23)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-12,15-16H,1-2,5-6,13-14,17,28H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083980 (CHEMBL535353 | N-(5-Amino-pentyl)-2-(6-bromo-2-nap...) Show SMILES NCCCCCNC(=O)Cn1c(nc2ccc(Br)cc2c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C25H25BrN4O2/c26-20-10-11-22-21(15-20)25(32)30(16-23(31)28-13-5-1-4-12-27)24(29-22)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16,27H2,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083974 (2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...) Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2| Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50083977 (6-Amino-2-[2-(6-chloro-2-naphthalen-2-yl-4-oxo-4H-...) Show SMILES COC(=O)C(CCCCN)NC(=O)Cn1c(nc2ccc(Cl)cc2c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C27H27ClN4O4/c1-36-27(35)23(8-4-5-13-29)30-24(33)16-32-25(19-10-9-17-6-2-3-7-18(17)14-19)31-22-12-11-20(28)15-21(22)26(32)34/h2-3,6-7,9-12,14-15,23H,4-5,8,13,16,29H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)/t27-,34-,37-,38+,39+,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair