Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'armour' and Initial = 'dr'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50470670 (CHEMBL149557) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccsc1 Show InChI InChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50410193 (CHEMBL356062 | GR-203040) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1cnnn1 Show InChI InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-14-23-24-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470678 (CHEMBL146885) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1c(C)noc1C Show InChI InChI=1S/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470675 (CHEMBL344536) Show SMILES COc1ccc(Br)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23BrN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470683 (CHEMBL356786) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccoc1 Show InChI InChI=1S/C23H26N2O2/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470669 (CHEMBL359188) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C24H27N3O/c1-28-23-10-9-20(18-11-14-25-15-12-18)16-21(23)17-27-22-8-5-13-26-24(22)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-16,22,24,26-27H,5,8,13,17H2,1H3/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470672 (CHEMBL434884) Show SMILES COc1ccc(SC)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C20H26N2OS/c1-23-19-11-10-17(24-2)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470667 (CHEMBL424301) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1ncnn1 Show InChI InChI=1S/C20H24N6O/c1-27-19-10-9-17(26-24-14-23-25-26)12-16(19)13-22-18-8-5-11-21-20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,18,20-22H,5,8,11,13H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470676 (CHEMBL359255) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1cncn1 Show InChI InChI=1S/C21H25N5O/c1-27-20-10-9-18(26-15-22-14-25-26)12-17(20)13-24-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,14-15,19,21,23-24H,5,8,11,13H2,1H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470671 (CHEMBL358575) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1cncnc1 Show InChI InChI=1S/C23H26N4O/c1-28-22-10-9-18(20-13-24-16-25-14-20)12-19(22)15-27-21-8-5-11-26-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-14,16,21,23,26-27H,5,8,11,15H2,1H3/t21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470677 (CHEMBL147776) Show SMILES COc1ccc(F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23FN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human NK1 receptor was determined				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50470681 (CHEMBL357029) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nnnn1C Show InChI InChI=1S/C21H26N6O/c1-27-21(24-25-26-27)16-10-11-19(28-2)17(13-16)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50470680 (CHEMBL343404) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C20H26N2O3S/c1-25-19-11-10-17(26(2,23)24)13-16(19)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470674 (CHEMBL342966) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccco1 Show InChI InChI=1S/C23H26N2O2/c1-26-21-12-11-18(22-10-6-14-27-22)15-19(21)16-25-20-9-5-13-24-23(20)17-7-3-2-4-8-17/h2-4,6-8,10-12,14-15,20,23-25H,5,9,13,16H2,1H3/t20-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470668 (CHEMBL147619) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccs1 Show InChI InChI=1S/C22H25N3OS/c1-26-20-10-9-17(22-24-12-13-27-22)14-18(20)15-25-19-8-5-11-23-21(19)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,19,21,23,25H,5,8,11,15H2,1H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50470673 (CHEMBL144793) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1c(C)nn(C)c1C Show InChI InChI=1S/C25H32N4O/c1-17-24(18(2)29(3)28-17)20-12-13-23(30-4)21(15-20)16-27-22-11-8-14-26-25(22)19-9-6-5-7-10-19/h5-7,9-10,12-13,15,22,25-27H,8,11,14,16H2,1-4H3/t22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470679 (CHEMBL146210) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nccn1C Show InChI InChI=1S/C23H28N4O/c1-27-14-13-25-23(27)18-10-11-21(28-2)19(15-18)16-26-20-9-6-12-24-22(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15,20,22,24,26H,6,9,12,16H2,1-2H3/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50470682 (CHEMBL343219) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1nnn(C)n1 Show InChI InChI=1S/C21H26N6O/c1-27-25-21(24-26-27)16-10-11-19(28-2)17(13-16)14-23-18-9-6-12-22-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,22-23H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK UK Curated by ChEMBL					Assay Description Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells				J Med Chem 38: 4985-92 (1995) Article DOI: 10.1021/jm00026a005 BindingDB Entry DOI: 10.7270/Q2S46VQ5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50346332 (2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]dia...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1 Show InChI InChI=1S/C26H21F6N3O2/c1-34(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(37)35-15-22(36)33-21-10-6-5-9-20(21)23(35)17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214736 (CHEMBL304638) Show SMILES CC1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6N3O2/c1-12-16-5-3-4-6-17(16)28-18(31)11-30(12)19(32)29(2)10-13-7-14(20(22,23)24)9-15(8-13)21(25,26)27/h3-9,12H,10-11H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214732 (CHEMBL64839) Show SMILES CC1N(CCNc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6N3O/c1-13-17-5-3-4-6-18(17)28-7-8-30(13)19(31)29(2)12-14-9-15(20(22,23)24)11-16(10-14)21(25,26)27/h3-6,9-11,13,28H,7-8,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50213785 (CHEMBL91475) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@]11CCc2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-5-3-8-17(19)15-22-20-11-6-14-23-21(20)13-12-16-7-2-4-9-18(16)21/h2-5,7-10,20,22-23H,6,11-15H2,1H3/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50400788 (CHEMBL2203612) Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214733 (CHEMBL62597) Show SMILES COC(=O)C1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6N3O4/c1-30(10-12-7-13(21(23,24)25)9-14(8-12)22(26,27)28)20(34)31-11-17(32)29-16-6-4-3-5-15(16)18(31)19(33)35-2/h3-9,18H,10-11H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214734 (CHEMBL302163) Show SMILES FC(F)(F)c1cc(CNC(=O)N2CC(=O)Nc3ccccc3C2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H19F6N3O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-32-23(36)34-14-21(35)33-20-9-5-4-8-19(20)22(34)16-6-2-1-3-7-16/h1-12,22H,13-14H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214641 (CHEMBL291650) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1CN1CCOCC1 Show InChI InChI=1S/C25H26F6N4O3/c1-33(13-16-10-17(24(26,27)28)12-18(11-16)25(29,30)31)23(37)35-15-22(36)32-20-5-3-2-4-19(20)21(35)14-34-6-8-38-9-7-34/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50213784 (CHEMBL91840) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@@]11CCc2ccccc12 Show InChI InChI=1S/C21H26N2O/c1-24-19-10-5-3-8-17(19)15-22-20-11-6-14-23-21(20)13-12-16-7-2-4-9-18(16)21/h2-5,7-10,20,22-23H,6,11-15H2,1H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 5: 2671-2676 (1995) Article DOI: 10.1016/0960-894X(95)00481-8 BindingDB Entry DOI: 10.7270/Q2V40V5B
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214735 (CHEMBL64698) Show SMILES CC1N(CC(=O)N(C)c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6N3O2/c1-13-17-6-4-5-7-18(17)30(3)19(32)12-31(13)20(33)29(2)11-14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h4-10,13H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50214640 (CHEMBL64862) Show SMILES CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1 Show InChI InChI=1S/C24H23N3O2/c1-26(16-18-10-4-2-5-11-18)24(29)27-17-22(28)25-21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,23H,16-17H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi				Bioorg Med Chem Lett 7: 2037-2042 (1997) Article DOI: 10.1016/S0960-894X(97)00353-3 BindingDB Entry DOI: 10.7270/Q21836GK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor stably expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400791 (CHEMBL2203619) Show SMILES Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C28H36N4O/c1-21-29-25-13-6-7-14-26(25)32(21)28(2)16-19-31(20-17-28)18-15-24(22-9-4-3-5-10-22)30-27(33)23-11-8-12-23/h3-7,9-10,13-14,23-24H,8,11-12,15-20H2,1-2H3,(H,30,33)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400795 (CHEMBL2203615) Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:18:17:16.10.11:13.14| Show InChI InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400794 (CHEMBL2203616) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:18:17:16.10.11:13.14| Show InChI InChI=1S/C29H36N4O/c1-20-30-27-12-5-6-13-28(27)33(20)25-18-23-14-15-24(19-25)32(23)17-16-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400787 (CHEMBL2203613) Show SMILES C[C@H]1C[C@@H](C[C@@H](C)N1CC[C@H](NC(=O)C1CCC1)c1ccccc1)n1c(C)nc2ccccc12 |r| Show InChI InChI=1S/C29H38N4O/c1-20-18-25(33-22(3)30-27-14-7-8-15-28(27)33)19-21(2)32(20)17-16-26(23-10-5-4-6-11-23)31-29(34)24-12-9-13-24/h4-8,10-11,14-15,20-21,24-26H,9,12-13,16-19H2,1-3H3,(H,31,34)/t20-,21+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400788 (CHEMBL2203612) Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.13.14| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50422155 (CHEMBL443825) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1 Show InChI InChI=1S/C33H31N5O5/c1-22(2)37(25-17-19-26(39)20-18-25)29(40)21-36-27-15-9-10-16-28(27)38(24-13-7-4-8-14-24)32(42)30(31(36)41)35-33(43)34-23-11-5-3-6-12-23/h3-20,22,30,39H,21H2,1-2H3,(H2,34,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400792 (CHEMBL2203618) Show SMILES Cc1nc2ccccc2n1C1[C@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]12 |r| Show InChI InChI=1S/C27H32N4O/c1-18-28-24-12-5-6-13-25(24)31(18)26-21-16-30(17-22(21)26)15-14-23(19-8-3-2-4-9-19)29-27(32)20-10-7-11-20/h2-6,8-9,12-13,20-23,26H,7,10-11,14-17H2,1H3,(H,29,32)/t21-,22+,23-,26?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400796 (CHEMBL2203614) Show SMILES Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H34N4O/c1-20-28-25-12-5-6-13-26(25)31(20)23-14-17-30(18-15-23)19-16-24(21-8-3-2-4-9-21)29-27(32)22-10-7-11-22/h2-6,8-9,12-13,22-24H,7,10-11,14-19H2,1H3,(H,29,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400790 (CHEMBL2203620) Show SMILES Cc1nc2ccccc2n1[C@H]1C[C@@H]2CSC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,THB:19:18:17.10.11:15.14.13| Show InChI InChI=1S/C29H36N4OS/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50072427 (1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50422157 (CHEMBL345786) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C33H30FN5O4/c1-22(2)38(26-19-17-23(34)18-20-26)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-33(43)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H2,35,36,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50400789 (CHEMBL2203621) Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2COC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 |r,TLB:19:18:14.13.15:11.17.10| Show InChI InChI=1S/C29H36N4O2/c1-20-30-27-12-5-6-13-28(27)33(20)23-16-24-18-35-19-25(17-23)32(24)15-14-26(21-8-3-2-4-9-21)31-29(34)22-10-7-11-22/h2-6,8-9,12-13,22-26H,7,10-11,14-19H2,1H3,(H,31,34)/t23-,24-,25+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 receptor				Chem Biol Drug Des 67: 305-8 (2006) Article DOI: 10.1111/j.1747-0285.2006.00376.x BindingDB Entry DOI: 10.7270/Q2D50P44
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50422155 (CHEMBL443825) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(O)cc1 Show InChI InChI=1S/C33H31N5O5/c1-22(2)37(25-17-19-26(39)20-18-25)29(40)21-36-27-15-9-10-16-28(27)38(24-13-7-4-8-14-24)32(42)30(31(36)41)35-33(43)34-23-11-5-3-6-12-23/h3-20,22,30,39H,21H2,1-2H3,(H2,34,35,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50422156 (CHEMBL346179) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C34H31N5O6/c1-22(2)38(26-19-17-23(18-20-26)33(43)44)29(40)21-37-27-15-9-10-16-28(27)39(25-13-7-4-8-14-25)32(42)30(31(37)41)36-34(45)35-24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50072427 (1-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-d...) Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C33H31N5O4/c1-23(2)37(25-16-8-4-9-17-25)29(39)22-36-27-20-12-13-21-28(27)38(26-18-10-5-11-19-26)32(41)30(31(36)40)35-33(42)34-24-14-6-3-7-15-24/h3-21,23,30H,22H2,1-2H3,(H2,34,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50072425 (2-[2,4-Dioxo-5-phenyl-3-(3-phenyl-ureido)-2,3,4,5-...) Show SMILES COc1ccc(cc1)N(C(C)C)C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(NC(=O)Nc2ccccc2)C1=O Show InChI InChI=1S/C34H33N5O5/c1-23(2)38(26-18-20-27(44-3)21-19-26)30(40)22-37-28-16-10-11-17-29(28)39(25-14-8-5-9-15-25)33(42)31(32(37)41)36-34(43)35-24-12-6-4-7-13-24/h4-21,23,31H,22H2,1-3H3,(H2,35,36,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Curated by ChEMBL					Assay Description Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells				J Med Chem 39: 562-9 (1996) Article DOI: 10.1021/jm950626d BindingDB Entry DOI: 10.7270/Q22R3SZ1
					More data for this Ligand-Target Pair

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