Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'berlin' and Initial = 'my'   

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
Histamine H3 receptor (Mus musculus)	BDBM50441511 (CHEMBL2436620) Show SMILES Cc1nnc2CN(Cc3ccsc3-n12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C26H33FN8OS/c1-18-30-31-23-17-34(16-20-5-13-37-24(20)35(18)23)21-3-9-33(10-4-21)25(36)26(27)6-11-32(12-7-26)15-19-2-8-29-22(28)14-19/h2,5,8,13-14,21H,3-4,6-7,9-12,15-17H2,1H3,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441503 (CHEMBL2436628) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccc(cc3C2)C#N)ccn1 Show InChI InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441509 (CHEMBL2436622) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3CC2)ccn1 Show InChI InChI=1S/C27H36FN5O/c28-27(10-17-31(18-11-27)20-21-5-12-30-25(29)19-21)26(34)33-15-8-24(9-16-33)32-13-6-22-3-1-2-4-23(22)7-14-32/h1-5,12,19,24H,6-11,13-18,20H2,(H2,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441505 (CHEMBL2436626) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCNc3ccccc3C2)ccn1 Show InChI InChI=1S/C26H35FN6O/c27-26(8-14-31(15-9-26)18-20-5-10-30-24(28)17-20)25(34)32-12-6-22(7-13-32)33-16-11-29-23-4-2-1-3-21(23)19-33/h1-5,10,17,22,29H,6-9,11-16,18-19H2,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112009 (1-(2,6-Dichloro-pyridin-4-yl)-3-[4-(1H-imidazol-4-...) Show SMILES Clc1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(Cl)n1 Show InChI InChI=1S/C17H15Cl2N5O/c18-15-6-13(7-16(19)24-15)23-17(25)21-8-12-3-1-11(2-4-12)5-14-9-20-10-22-14/h1-4,6-7,9-10H,5,8H2,(H,20,22)(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441506 (CHEMBL2436625) Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441514 (CHEMBL2436633) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3-c3ccccc3C2)ccn1 Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)20-23-9-14-34-29(33)19-23)30(38)36-15-10-26(11-16-36)37-21-24-5-1-3-7-27(24)28-8-4-2-6-25(28)22-37/h1-9,14,19,26H,10-13,15-18,20-22H2,(H2,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441502 (CHEMBL2436629) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3C2)ccn1 Show InChI InChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441504 (CHEMBL2436627) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3C2)ccn1 Show InChI InChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM86188 (CHEMBL366977 | SCH 79687) Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441507 (CHEMBL2436624) Show SMILES COc1ccc2CCCN(Cc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-22-3-2-12-34(20-23(22)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112025 ((3,5-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...) Show SMILES Clc1cc(Cl)cc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-6-15(20)8-16(7-14)23-18(24)25-10-13-3-1-12(2-4-13)5-17-9-21-11-22-17/h1-4,6-9,11H,5,10H2,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112024 (1-(3-Cyano-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-b...) Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccc(c1)C#N Show InChI InChI=1S/C19H17N5O/c20-10-16-2-1-3-17(9-16)24-19(25)22-11-15-6-4-14(5-7-15)8-18-12-21-13-23-18/h1-7,9,12-13H,8,11H2,(H,21,23)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112012 (1-(3-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...) Show SMILES Clc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H17ClN4O/c19-15-2-1-3-16(9-15)23-18(24)21-10-14-6-4-13(5-7-14)8-17-11-20-12-22-17/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441501 (CHEMBL2436630) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccc(F)cc3C2)ccn1 Show InChI InChI=1S/C25H31F2N5O/c26-21-2-1-19-16-32(17-20(19)14-21)22-4-9-31(10-5-22)24(33)25(27)6-11-30(12-7-25)15-18-3-8-29-23(28)13-18/h1-3,8,13-14,22H,4-7,9-12,15-17H2,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112021 (1-(3,4-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...) Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl Show InChI InChI=1S/C18H16Cl2N4O/c19-16-6-5-14(8-17(16)20)24-18(25)22-9-13-3-1-12(2-4-13)7-15-10-21-11-23-15/h1-6,8,10-11H,7,9H2,(H,21,23)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441512 (CHEMBL2436617) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3ccccc23)ccn1 Show InChI InChI=1S/C29H32FN5OS/c30-29(12-17-33(18-13-29)20-21-9-14-32-27(31)19-21)28(36)34-15-10-22(11-16-34)35-23-5-1-3-7-25(23)37-26-8-4-2-6-24(26)35/h1-9,14,19,22H,10-13,15-18,20H2,(H2,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112011 ((3-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...) Show SMILES Clc1cccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H16ClN3O2/c19-15-2-1-3-16(9-15)22-18(23)24-11-14-6-4-13(5-7-14)8-17-10-20-12-21-17/h1-7,9-10,12H,8,11H2,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112020 (1-(3,5-Dimethyl-phenyl)-3-[4-(1H-imidazol-4-ylmeth...) Show SMILES Cc1cc(C)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C20H22N4O/c1-14-7-15(2)9-18(8-14)24-20(25)22-11-17-5-3-16(4-6-17)10-19-12-21-13-23-19/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441517 (CHEMBL2436631) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3cccnc3C2)ccn1 Show InChI InChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50071492 (CHEMBL312341 | N-(4-Chloro-benzyl)-4-(1H-imidazol-...) Show SMILES NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2| Show InChI InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112028 (1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-trifluo...) Show SMILES FC(F)(F)c1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)15-2-1-3-16(9-15)26-18(27)24-10-14-6-4-13(5-7-14)8-17-11-23-12-25-17/h1-7,9,11-12H,8,10H2,(H,23,25)(H2,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112013 ((3,4-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...) Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl Show InChI InChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(8-17(16)20)23-18(24)25-10-13-3-1-12(2-4-13)7-15-9-21-11-22-15/h1-6,8-9,11H,7,10H2,(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112010 (1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy...) Show SMILES COc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C19H20N4O2/c1-25-18-4-2-3-16(10-18)23-19(24)21-11-15-7-5-14(6-8-15)9-17-12-20-13-22-17/h2-8,10,12-13H,9,11H2,1H3,(H,20,22)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112019 (1-(4-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...) Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1 Show InChI InChI=1S/C18H17ClN4O/c19-15-5-7-16(8-6-15)23-18(24)21-10-14-3-1-13(2-4-14)9-17-11-20-12-22-17/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112017 (1-(3,5-Bis-trifluoromethyl-phenyl)-3-[4-(1H-imidaz...) Show SMILES FC(F)(F)c1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H16F6N4O/c21-19(22,23)14-6-15(20(24,25)26)8-16(7-14)30-18(31)28-9-13-3-1-12(2-4-13)5-17-10-27-11-29-17/h1-4,6-8,10-11H,5,9H2,(H,27,29)(H2,28,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112016 ((4-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...) Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1 Show InChI InChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)22-18(23)24-11-14-3-1-13(2-4-14)9-17-10-20-12-21-17/h1-8,10,12H,9,11H2,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441515 (CHEMBL2436619) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3cccnc23)ccn1 Show InChI InChI=1S/C28H31FN6OS/c29-28(10-16-33(17-11-28)19-20-7-13-31-25(30)18-20)27(36)34-14-8-21(9-15-34)35-22-4-1-2-5-23(22)37-24-6-3-12-32-26(24)35/h1-7,12-13,18,21H,8-11,14-17,19H2,(H2,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112008 (1-(2-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...) Show SMILES Clc1ccccc1NC(=O)NCc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C18H17ClN4O/c19-16-3-1-2-4-17(16)23-18(24)21-10-14-7-5-13(6-8-14)9-15-11-20-12-22-15/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112027 (CHEMBL172610 | Phenyl-carbamic acid 4-(1H-imidazol...) Show SMILES O=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441513 (CHEMBL2436616) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3Cc3ccccc23)ccn1 Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)21-23-9-14-34-29(33)19-23)30(38)36-15-10-27(11-16-36)37-22-26-7-2-1-5-24(26)20-25-6-3-4-8-28(25)37/h1-9,14,19,27H,10-13,15-18,20-22H2,(H2,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441500 (CHEMBL2436632) Show SMILES Cn1c2CCN(CCc2c2ccccc12)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C30H39FN6O/c1-34-26-5-3-2-4-24(26)25-9-16-36(17-10-27(25)34)23-7-14-37(15-8-23)29(38)30(31)11-18-35(19-12-30)21-22-6-13-33-28(32)20-22/h2-6,13,20,23H,7-12,14-19,21H2,1H3,(H2,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441516 (CHEMBL2436618) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2c3ccccc3Sc3ccc(cc23)C(F)(F)F)ccn1 Show InChI InChI=1S/C30H31F4N5OS/c31-29(10-15-37(16-11-29)19-20-7-12-36-27(35)17-20)28(40)38-13-8-22(9-14-38)39-23-3-1-2-4-25(23)41-26-6-5-21(18-24(26)39)30(32,33)34/h1-7,12,17-18,22H,8-11,13-16,19H2,(H2,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441510 (CHEMBL2436621) Show SMILES Cc1nnc2CN(C3CCN(CC3)C(=O)C3(F)CCN(Cc4ccnc(N)c4)CC3)C(=O)c3ccsc3-n12 Show InChI InChI=1S/C26H31FN8O2S/c1-17-30-31-22-16-34(23(36)20-5-13-38-24(20)35(17)22)19-3-9-33(10-4-19)25(37)26(27)6-11-32(12-7-26)15-18-2-8-29-21(28)14-18/h2,5,8,13-14,19H,3-4,6-7,9-12,15-16H2,1H3,(H2,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112026 (1-(3,5-Bis-trifluoromethyl-benzyl)-3-[4-(1H-imidaz...) Show SMILES FC(F)(F)c1cc(CNC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H18F6N4O/c22-20(23,24)16-5-15(6-17(8-16)21(25,26)27)10-30-19(32)29-9-14-3-1-13(2-4-14)7-18-11-28-12-31-18/h1-6,8,11-12H,7,9-10H2,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50441508 (CHEMBL2436623) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCCc3ccccc3C2)ccn1 Show InChI InChI=1S/C27H36FN5O/c28-27(10-16-31(17-11-27)19-21-7-12-30-25(29)18-21)26(34)32-14-8-24(9-15-32)33-13-3-6-22-4-1-2-5-23(22)20-33/h1-2,4-5,7,12,18,24H,3,6,8-11,13-17,19-20H2,(H2,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112023 (1-(3,5-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...) Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C17H14Cl2N4O/c18-12-6-13(19)8-15(7-12)23-17(24)22-14-3-1-11(2-4-14)5-16-9-20-10-21-16/h1-4,6-10H,5H2,(H,20,21)(H2,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112022 (1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-pyridin-3-...) Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccnc1 Show InChI InChI=1S/C17H17N5O/c23-17(22-15-2-1-7-18-10-15)20-9-14-5-3-13(4-6-14)8-16-11-19-12-21-16/h1-7,10-12H,8-9H2,(H,19,21)(H2,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112014 (1-(3,5-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...) Show SMILES CN(Cc1ccc(Cc2cnc[nH]2)cc1)C(=O)N(C)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O/c1-25(20(27)26(2)19-9-16(21)8-17(22)10-19)12-15-5-3-14(4-6-15)7-18-11-23-13-24-18/h3-6,8-11,13H,7,12H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112015 (1-[2-(2-Chloro-phenyl)-ethyl]-3-[4-(1H-imidazol-4-...) Show SMILES Clc1ccccc1CCNC(=O)NCc1ccc(Cc2cnc[nH]2)cc1 Show InChI InChI=1S/C20H21ClN4O/c21-19-4-2-1-3-17(19)9-10-23-20(26)24-12-16-7-5-15(6-8-16)11-18-13-22-14-25-18/h1-8,13-14H,9-12H2,(H,22,25)(H2,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441514 (CHEMBL2436633) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3-c3ccccc3C2)ccn1 Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)20-23-9-14-34-29(33)19-23)30(38)36-15-10-26(11-16-36)37-21-24-5-1-3-7-27(24)28-8-4-2-6-25(28)22-37/h1-9,14,19,26H,10-13,15-18,20-22H2,(H2,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441513 (CHEMBL2436616) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3Cc3ccccc23)ccn1 Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)21-23-9-14-34-29(33)19-23)30(38)36-15-10-27(11-16-36)37-22-26-7-2-1-5-24(26)20-25-6-3-4-8-28(25)37/h1-9,14,19,27H,10-13,15-18,20-22H2,(H2,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50441513 (CHEMBL2436616) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3Cc3ccccc23)ccn1 Show InChI InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)21-23-9-14-34-29(33)19-23)30(38)36-15-10-27(11-16-36)37-22-26-7-2-1-5-24(26)20-25-6-3-4-8-28(25)37/h1-9,14,19,27H,10-13,15-18,20-22H2,(H2,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441502 (CHEMBL2436629) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3C2)ccn1 Show InChI InChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441503 (CHEMBL2436628) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccc(cc3C2)C#N)ccn1 Show InChI InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441504 (CHEMBL2436627) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3C2)ccn1 Show InChI InChI=1S/C26H34FN5O/c27-26(9-15-30(16-10-26)18-20-5-11-29-24(28)17-20)25(33)31-13-7-23(8-14-31)32-12-6-21-3-1-2-4-22(21)19-32/h1-5,11,17,23H,6-10,12-16,18-19H2,(H2,28,29)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441505 (CHEMBL2436626) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCNc3ccccc3C2)ccn1 Show InChI InChI=1S/C26H35FN6O/c27-26(8-14-31(15-9-26)18-20-5-10-30-24(28)17-20)25(34)32-12-6-22(7-13-32)33-16-11-29-23-4-2-1-3-21(23)19-33/h1-5,10,17,22,29H,6-9,11-16,18-19H2,(H2,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441506 (CHEMBL2436625) Show SMILES COc1ccc2CN(CCCc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-23-20-34(12-2-3-22(23)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441507 (CHEMBL2436624) Show SMILES COc1ccc2CCCN(Cc2c1)C1CCN(CC1)C(=O)C1(F)CCN(Cc2ccnc(N)c2)CC1 Show InChI InChI=1S/C28H38FN5O2/c1-36-25-5-4-22-3-2-12-34(20-23(22)18-25)24-7-13-33(14-8-24)27(35)28(29)9-15-32(16-10-28)19-21-6-11-31-26(30)17-21/h4-6,11,17-18,24H,2-3,7-10,12-16,19-20H2,1H3,(H2,30,31)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50441508 (CHEMBL2436623) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCCc3ccccc3C2)ccn1 Show InChI InChI=1S/C27H36FN5O/c28-27(10-16-31(17-11-27)19-21-7-12-30-25(29)18-21)26(34)32-14-8-24(9-15-32)33-13-3-6-22-4-1-2-5-23(22)20-33/h1-2,4-5,7,12,18,24H,3,6,8-11,13-17,19-20H2,(H2,29,30)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
					More data for this Ligand-Target Pair

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