Compile Data Set for Download or QSAR

Found 803 hits with Last Name = 'anthes' and Initial = 'jc'   

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 (GUINEA PIG)	BDBM50325449 (1-(2-(piperidin-1-yl)ethyl)-3-(1-(1-(pyridin-4-ylm...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCCCC2)c1=O Show InChI InChI=1S/C31H42N6O2/c38-30(26-10-18-34(19-11-26)24-25-8-14-32-15-9-25)35-20-12-27(13-21-35)37-29-7-3-2-6-28(29)36(31(37)39)23-22-33-16-4-1-5-17-33/h2-3,6-9,14-15,26-27H,1,4-5,10-13,16-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325450 (1-(2-(dimethylamino)ethyl)-3-(1-(1-(pyridin-4-ylme...) Show SMILES CN(C)CCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C28H38N6O2/c1-30(2)19-20-33-25-5-3-4-6-26(25)34(28(33)36)24-11-17-32(18-12-24)27(35)23-9-15-31(16-10-23)21-22-7-13-29-14-8-22/h3-8,13-14,23-24H,9-12,15-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325466 (1-(3-(dimethylamino)propyl)-3-(1-(1-(pyridin-4-ylm...) Show SMILES CN(C)CCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C29H40N6O2/c1-31(2)16-5-17-34-26-6-3-4-7-27(26)35(29(34)37)25-12-20-33(21-13-25)28(36)24-10-18-32(19-11-24)22-23-8-14-30-15-9-23/h3-4,6-9,14-15,24-25H,5,10-13,16-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116745 (CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175828 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Fc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23FN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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 Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116083 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325465 (1-benzyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C31H35N5O2/c37-30(26-12-18-33(19-13-26)22-25-10-16-32-17-11-25)34-20-14-27(15-21-34)36-29-9-5-4-8-28(29)35(31(36)38)23-24-6-2-1-3-7-24/h1-11,16-17,26-27H,12-15,18-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175843 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	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 Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325460 (1-(4-methoxybenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pi...) Show SMILES COc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C32H37N5O3/c1-40-28-8-6-24(7-9-28)23-36-29-4-2-3-5-30(29)37(32(36)39)27-14-20-35(21-15-27)31(38)26-12-18-34(19-13-26)22-25-10-16-33-17-11-25/h2-11,16-17,26-27H,12-15,18-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116722 (CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50116745 (CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116736 (CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116717 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116074 (CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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 In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116091 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116076 (CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325461 (1-(3-methoxybenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pi...) Show SMILES COc1cccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)c1 Show InChI InChI=1S/C32H37N5O3/c1-40-28-6-4-5-25(21-28)23-36-29-7-2-3-8-30(29)37(32(36)39)27-13-19-35(20-14-27)31(38)26-11-17-34(18-12-26)22-24-9-15-33-16-10-24/h2-10,15-16,21,26-27H,11-14,17-20,22-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116082 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50175843 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in human brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175833 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325473 (1-isobutyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-...) Show SMILES CC(C)Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C28H37N5O2/c1-21(2)19-32-25-5-3-4-6-26(25)33(28(32)35)24-11-17-31(18-12-24)27(34)23-9-15-30(16-10-23)20-22-7-13-29-14-8-22/h3-8,13-14,21,23-24H,9-12,15-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116074 (CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116080 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116078 (3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...) Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071112 (CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...) Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by PDSP Ki Database									Eur J Pharmacol 450: 191-202 (2002) Article DOI: 10.1016/s0014-2999(02)02124-6 BindingDB Entry DOI: 10.7270/Q2862F1R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50110653 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-39(31(43)21-14-22(32)17-23(33)15-21)18-28(38-45-19-29(36)37-44)25(20-5-6-26(34)27(35)16-20)9-13-40-11-7-24(8-12-40)41-10-3-2-4-30(41)42/h5-6,14-17,24-25,44H,2-4,7-13,18-19H2,1H3,(H2,36,37)/b38-28+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116717 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CNC(=O)C[C@H]1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116732 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50116733 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H37Cl4N5O3/c1-36-10-4-11-39(30(36)41)24-7-12-38(13-8-24)14-9-25(20-5-6-26(33)27(34)17-20)28(35-42-3)19-37(2)29(40)21-15-22(31)18-23(32)16-21/h5-6,15-18,24-25H,4,7-14,19H2,1-3H3/b35-28+/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116736 (CHEMBL74956 | N-{(R)-5-{4-[3-(1-Carbamoyl-1-methyl...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)C(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-33(2,31(38)45)43-12-5-11-42(32(43)46)25-8-13-41(14-9-25)15-10-26(21-6-7-27(36)28(37)18-21)29(39-47-4)20-40(3)30(44)22-16-23(34)19-24(35)17-22/h6-7,16-19,25-26H,5,8-15,20H2,1-4H3,(H2,38,45)/b39-29+/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116745 (CHEMBL78284 | N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-38(30(43)21-14-22(32)17-23(33)15-21)18-28(37-45-2)25(20-4-5-26(34)27(35)16-20)8-13-39-11-6-24(7-12-39)41-10-3-9-40(31(41)44)19-29(36)42/h4-5,14-17,24-25H,3,6-13,18-19H2,1-2H3,(H2,36,42)/b37-28+/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116726 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325448 (1-(2-morpholinoethyl)-3-(1-(1-(pyridin-4-ylmethyl)...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C30H40N6O3/c37-29(25-7-13-33(14-8-25)23-24-5-11-31-12-6-24)34-15-9-26(10-16-34)36-28-4-2-1-3-27(28)35(30(36)38)18-17-32-19-21-39-22-20-32/h1-6,11-12,25-26H,7-10,13-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	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]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50071484 (CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand				Bioorg Med Chem Lett 10: 2329-32 (2001) BindingDB Entry DOI: 10.7270/Q21Z43P9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50110650 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(2-oxo-[...) Show SMILES CN(C\C(=N/OCCN1CCNCC1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C35H46Cl4N6O3/c1-42(35(47)26-20-27(36)23-28(37)21-26)24-33(41-48-19-18-44-16-10-40-11-17-44)30(25-5-6-31(38)32(39)22-25)9-15-43-13-7-29(8-14-43)45-12-3-2-4-34(45)46/h5-6,20-23,29-30,40H,2-4,7-19,24H2,1H3/b41-33+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50110653 (3,5-Dichloro-N-[(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CN(C\C(=N/OCC(=N)NO)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H38Cl4N6O4/c1-39(31(43)21-14-22(32)17-23(33)15-21)18-28(38-45-19-29(36)37-44)25(20-5-6-26(34)27(35)16-20)9-13-40-11-7-24(8-12-40)41-10-3-2-4-30(41)42/h5-6,14-17,24-25,44H,2-4,7-13,18-19H2,1H3,(H2,36,37)/b38-28+/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as a radioligand				Bioorg Med Chem Lett 12: 833-6 (2002) BindingDB Entry DOI: 10.7270/Q2BG2N96
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116740 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H42Cl4N6O4/c1-39(32(44)24-18-25(34)21-26(35)19-24)22-31(38-46-2)28(23-4-5-29(36)30(37)20-23)8-13-40-11-6-27(7-12-40)42-9-3-10-43(33(42)45)41-14-16-47-17-15-41/h4-5,18-21,27-28H,3,6-17,22H2,1-2H3/b38-31+/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116722 (CHEMBL263243 | N-{(R)-5-{4-[3-((R)-1-Carbamoyl-2-h...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN([C@H](CO)C(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H40Cl4N6O5/c1-39(31(45)21-14-22(33)17-23(34)15-21)18-28(38-47-2)25(20-4-5-26(35)27(36)16-20)8-13-40-11-6-24(7-12-40)41-9-3-10-42(32(41)46)29(19-43)30(37)44/h4-5,14-17,24-25,29,43H,3,6-13,18-19H2,1-2H3,(H2,37,44)/b38-28+/t25-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116715 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=N)NO)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/b38-28+/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116726 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(C1=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H38Cl4N6O3/c1-41(33(45)24-18-25(35)21-26(36)19-24)22-31(40-47-2)28(23-7-8-29(37)30(38)20-23)11-17-42-15-9-27(10-16-42)43-13-5-14-44(34(43)46)32-6-3-4-12-39-32/h3-4,6-8,12,18-21,27-28H,5,9-11,13-17,22H2,1-2H3/b40-31+/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50116727 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50116727 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(C)(C)O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H43Cl4N5O4/c1-33(2,45)21-41-11-5-12-42(32(41)44)26-8-13-40(14-9-26)15-10-27(22-6-7-28(36)29(37)18-22)30(38-46-4)20-39(3)31(43)23-16-24(34)19-25(35)17-23/h6-7,16-19,26-27,45H,5,8-15,20-21H2,1-4H3/b38-30+/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I]-[MePhe]-NKB as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50116732 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116082 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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 In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (GUINEA PIG)	BDBM50116090 (1-(2-{1'-[5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)C2CCN(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H49Cl4N5O4/c1-44-14-8-25(9-15-44)36(48)22-27-5-4-13-47(38(27)50)31-10-16-46(17-11-31)18-12-32(26-6-7-33(41)34(42)21-26)35(43-51-3)24-45(2)37(49)28-19-29(39)23-30(40)20-28/h6-7,19-21,23,25,27,31-32H,4-5,8-18,22,24H2,1-3H3/b43-35+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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 In vitro binding to Tachykinin receptor 1				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-K receptor (GUINEA PIG)	BDBM50116088 (3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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 In vitro binding to Tachykinin receptor 2				Bioorg Med Chem Lett 12: 2125-8 (2002) BindingDB Entry DOI: 10.7270/Q2JQ11JS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50116732 (3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CCNS(C)(=O)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H42Cl4N6O5S/c1-39(31(43)23-17-24(33)20-25(34)18-23)21-30(38-47-2)27(22-5-6-28(35)29(36)19-22)9-15-40-13-7-26(8-14-40)42-12-4-11-41(32(42)44)16-10-37-48(3,45)46/h5-6,17-20,26-27,37H,4,7-16,21H2,1-3H3/b38-30+/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand				Bioorg Med Chem Lett 12: 2355-8 (2002) BindingDB Entry DOI: 10.7270/Q26T0KXW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 803 total )  |  Next  |  Last  >>

Jump to: