Compile Data Set for Download or QSAR

Found 548 hits with Last Name = 'shapiro' and Initial = 'r'   

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
Hrh3 protein (RAT)	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.654	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	2.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50193788 ((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...) Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	22.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Hrh3 protein (RAT)	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50193788 ((3s,9s)-9-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-...) Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN([C@@H]2C3CCCC2C[C@H](C3)C(N)=O)C1=O |wU:16.16,wD:23.27,THB:15:16:20.19.18:24.23.22,25:23:20.19.18:16,(12.85,-27.96,;11.71,-28.98,;10.46,-28.1,;12.95,-29.89,;14.41,-29.43,;14.86,-27.95,;16.36,-27.6,;17.41,-28.73,;18.91,-28.38,;19.35,-26.91,;18.29,-25.79,;16.8,-26.14,;20.85,-26.55,;22.35,-26.2,;12.47,-31.35,;10.93,-31.34,;10.56,-32.84,;9.51,-33.59,;9.55,-35.33,;8.74,-36.36,;10.25,-36.1,;10.25,-34.29,;8.38,-34.27,;8.46,-31.93,;7.83,-33.51,;6.98,-32.34,;5.88,-31.26,;6.59,-33.83,;10.46,-29.89,;9,-29.41,)| Show InChI InChI=1S/C23H30N4O3/c1-23(2)18(13-30-19-7-6-14(10-24)11-26-19)12-27(22(23)29)20-15-4-3-5-16(20)9-17(8-15)21(25)28/h6-7,11,15-18,20H,3-5,8-9,12-13H2,1-2H3,(H2,25,28)/t15?,16?,17-,18?,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	47.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50193783 ((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...) Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	62.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	72.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	89.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50193800 (4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...) Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50193800 (4-(4-((5-cyanopyridin-2-yloxy)methyl)-3,3-dimethyl...) Show SMILES CC1(C)C(COc2ccc(cn2)C#N)CN(C2CCCN(CC2)C(N)=O)C1=O Show InChI InChI=1S/C20H27N5O3/c1-20(2)15(13-28-17-6-5-14(10-21)11-23-17)12-25(18(20)26)16-4-3-8-24(9-7-16)19(22)27/h5-6,11,15-16H,3-4,7-9,12-13H2,1-2H3,(H2,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50193783 ((1R,7S,8r)-ethyl 4-(4-((5-cyanopyridin-2-yloxy)met...) Show SMILES CCOC(=O)[C@@H]1[C@H]2CCC(CC[C@@H]12)N1CC(COc2ccc(cn2)C#N)C(C)(C)C1=O Show InChI InChI=1S/C24H31N3O4/c1-4-30-22(28)21-18-8-6-17(7-9-19(18)21)27-13-16(24(2,3)23(27)29)14-31-20-10-5-15(11-25)12-26-20/h5,10,12,16-19,21H,4,6-9,13-14H2,1-3H3/t16?,17?,18-,19+,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1				Bioorg Med Chem Lett 16: 5555-60 (2006) Article DOI: 10.1016/j.bmcl.2006.08.034 BindingDB Entry DOI: 10.7270/Q25X28K5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	499	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	734	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	7.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM86490 (CAS_0 | CHEMBL14812 | GT 2016 | NSC_0) Show SMILES O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C19H31N3O/c23-19(9-5-4-8-16-6-2-1-3-7-16)22-12-10-17(11-13-22)18-14-20-15-21-18/h14-17H,1-13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50240709 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM7966 (2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...) Show SMILES NCCc1cnc[nH]1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Eur J Pharmacol 487: 183-97 (2004) Article DOI: 10.1016/j.ejphar.2004.01.015 BindingDB Entry DOI: 10.7270/Q2NZ866C
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19386 (2,4-diaminopyrimidine derivative, 8b | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-10-20(11-9-19)28-14-17-6-12-21(13-7-17)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	5.80	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19387 (2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	7.20	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19403 (2,4-diaminopyrimidine derivative, 11a | 6-[(benzyl...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-6-17(7-9-19)14-28-20-10-12-21(13-11-20)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	16	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19388 (2,4-diaminopyrimidine derivative, 8d | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)38(35,36)21-12-6-17(7-13-21)14-32-20-10-8-19(9-11-20)23-22(33-25(31)34-24(23)30)16-37-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	85	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19389 (1-(4-{[(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimi...) Show SMILES CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1 Show InChI InChI=1S/C27H27N5O2/c1-18(33)21-9-7-19(8-10-21)15-30-23-13-11-22(12-14-23)25-24(31-27(29)32-26(25)28)17-34-16-20-5-3-2-4-6-20/h2-14,30H,15-17H2,1H3,(H4,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	10	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inihibition of melanin concentrating hormone receptor 1 from human neuronal IMR-32 cells				J Med Chem 48: 1318-21 (2005) Article DOI: 10.1021/jm0490890 BindingDB Entry DOI: 10.7270/Q2794459
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Mus musculus)	BDBM50162116 (2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...) Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1 Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Melanin-concentrating hormone receptor 1 in diet-induced obese mice				Bioorg Med Chem Lett 15: 2752-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.114 BindingDB Entry DOI: 10.7270/Q2QJ7GSD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185040 (CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...) Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG				J Med Chem 49: 6569-84 (2006) Article DOI: 10.1021/jm060683e BindingDB Entry DOI: 10.7270/Q2NG4Q7P
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19390 (2,4-diaminopyrimidine derivative, 8f | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1 Show InChI InChI=1S/C24H23ClN6O/c25-21-12-17(10-11-28-21)13-29-19-8-6-18(7-9-19)22-20(30-24(27)31-23(22)26)15-32-14-16-4-2-1-3-5-16/h1-12,29H,13-15H2,(H4,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	3.60	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Mus musculus)	BDBM50167565 (1-[1-(2-Isobutylamino-ethyl)-1H-indazol-5-yl]-3-(4...) Show SMILES CC(C)CNCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12 Show InChI InChI=1S/C26H29N5O2/c1-19(2)17-27-14-15-31-25-13-10-22(16-20(25)18-28-31)30-26(32)29-21-8-11-24(12-9-21)33-23-6-4-3-5-7-23/h3-13,16,18-19,27H,14-15,17H2,1-2H3,(H2,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH				Bioorg Med Chem Lett 15: 2752-7 (2005) Article DOI: 10.1016/j.bmcl.2005.03.114 BindingDB Entry DOI: 10.7270/Q2QJ7GSD
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50197135 (CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...) Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells				J Med Chem 49: 6569-84 (2006) Article DOI: 10.1021/jm060683e BindingDB Entry DOI: 10.7270/Q2NG4Q7P
					More data for this Ligand-Target Pair

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