Compile Data Set for Download or QSAR

Found 755 hits with Last Name = 'sollis' and Initial = 'sl'   

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
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464108 (CHEMBL4241824) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464104 (CHEMBL4244784) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H37N3O3/c32-27(33)16-25(23-4-1-3-22(15-23)24-11-14-34-19-24)18-31-13-10-20(17-31)6-8-26-9-7-21-5-2-12-29-28(21)30-26/h1,3-4,7,9,15,20,24-25H,2,5-6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,24?,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384817 (CHEMBL2037514) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-4-20(5-2)26-28(35)32-25(24-16-21-8-6-7-9-22(21)17-24)29(36)34(26)27(23-11-10-19(3)31-18-23)30(37)33-12-14-38-15-13-33/h6-11,18,20,24-27H,4-5,12-17H2,1-3H3,(H,32,35)/t25-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464110 (CHEMBL4238909) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384800 (CHEMBL2037517) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C31H40N4O4/c1-5-21(6-2)27-29(36)33-26(24-17-22-9-7-8-10-23(22)18-24)30(37)35(27)28(25-12-11-19(3)32-20(25)4)31(38)34-13-15-39-16-14-34/h7-12,21,24,26-28H,5-6,13-18H2,1-4H3,(H,33,36)/t26-,27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384816 (CHEMBL2037516) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H38N4O3/c1-7-19(8-2)25-27(34)31-24(22-15-20-11-9-10-12-21(20)16-22)28(35)33(25)26(29(36)32(5)6)23-14-13-17(3)30-18(23)4/h9-14,19,22,24-26H,7-8,15-16H2,1-6H3,(H,31,34)/t24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464123 (CHEMBL4242263) Show SMILES Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C33H44N6O3/c1-23-16-24(2)39(36-23)31-18-27(17-30(20-31)38-12-14-42-15-13-38)28(19-32(40)41)22-37-11-9-25(21-37)5-7-29-8-6-26-4-3-10-34-33(26)35-29/h6,8,16-18,20,25,28H,3-5,7,9-15,19,21-22H2,1-2H3,(H,34,35)(H,40,41)/t25-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384823 (CHEMBL2037507) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-15-29-18(4)12-17(22)3/h8-12,15-16,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464119 (CHEMBL4241584) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r| Show InChI InChI=1S/C26H32N6O2/c33-25(34)16-22(21-3-1-5-24(15-21)32-14-12-28-30-32)18-31-13-10-19(17-31)6-8-23-9-7-20-4-2-11-27-26(20)29-23/h1,3,5,7,9,12,14-15,19,22H,2,4,6,8,10-11,13,16-18H2,(H,27,29)(H,33,34)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464118 (CHEMBL4249172) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464124 (CHEMBL4249629) Show SMILES Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-19-28(32-20(2)31-19)24-6-3-5-23(15-24)25(16-27(35)36)18-34-14-12-21(17-34)8-10-26-11-9-22-7-4-13-30-29(22)33-26/h3,5-6,9,11,15,21,25H,4,7-8,10,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)(H,35,36)/t21-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464108 (CHEMBL4241824) Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384822 (CHEMBL2037508) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-15-21-8-6-7-9-22(21)16-23)29(36)34(26)27(24-17-31-20(4)14-19(24)3)30(37)33-10-12-38-13-11-33/h6-9,14,17-18,23,25-27H,5,10-13,15-16H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384818 (CHEMBL2037513) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-26(33)30-23(22-14-19-10-8-9-11-20(19)15-22)27(34)32(24)25(28(35)31(4)5)21-13-12-17(3)29-16-21/h8-13,16,18,22-25H,6-7,14-15H2,1-5H3,(H,30,33)/t23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384837 (CHEMBL2037515) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-27(34)31-23(21-14-19-10-8-9-11-20(19)15-21)28(35)32(24)25(26(33)29-5)22-13-12-16(3)30-17(22)4/h8-13,18,21,23-25H,6-7,14-15H2,1-5H3,(H,29,33)(H,31,34)/t23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464120 (CHEMBL4237919) Show SMILES Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C27H34N6O2/c1-19-31-29-18-33(19)25-6-2-4-22(14-25)23(15-26(34)35)17-32-13-11-20(16-32)7-9-24-10-8-21-5-3-12-28-27(21)30-24/h2,4,6,8,10,14,18,20,23H,3,5,7,9,11-13,15-17H2,1H3,(H,28,30)(H,34,35)/t20-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464097 (CHEMBL4237868) Show SMILES Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H36N6O2/c1-19-30-20(2)34(32-19)26-7-3-5-23(15-26)24(16-27(35)36)18-33-14-12-21(17-33)8-10-25-11-9-22-6-4-13-29-28(22)31-25/h3,5,7,9,11,15,21,24H,4,6,8,10,12-14,16-18H2,1-2H3,(H,29,31)(H,35,36)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464113 (CHEMBL4239085) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464110 (CHEMBL4238909) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464100 (CHEMBL4243367) Show SMILES Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-14-30-33(20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-15-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)31-25/h2,4,6,8,10-11,14,16,21,24H,3,5,7,9,12-13,15,17-19H2,1H3,(H,29,31)(H,34,35)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384824 (CHEMBL2037506) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-15(2)23-26(33)30-22(20-12-18-9-7-8-10-19(18)13-20)27(34)31(23)24(25(32)28-5)21-14-29-17(4)11-16(21)3/h7-11,14-15,20,22-24H,6,12-13H2,1-5H3,(H,28,32)(H,30,33)/t15-,22+,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384815 (CHEMBL2037496) Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384834 (CHEMBL2037497) Show SMILES Cc1ccc(cn1)[C@@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H38N4O4/c1-19-9-10-22(18-31-19)26(29(37)33-11-13-38-14-12-33)34-24(17-30(2,3)4)27(35)32-25(28(34)36)23-15-20-7-5-6-8-21(20)16-23/h5-10,18,23-26H,11-17H2,1-4H3,(H,32,35)/t24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384838 (CHEMBL2037510) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-14-19-10-8-9-11-20(19)15-21)27(34)32(24)25(28(35)31(5)6)22-13-12-17(3)29-18(22)4/h8-13,16,21,23-25H,7,14-15H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50190528 ((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H31F2N3O3/c1-15(2)11-22-25(33)30-23(18-12-16-7-5-6-8-17(16)13-18)26(34)32(22)24(27(35)31(3)4)20-10-9-19(28)14-21(20)29/h5-10,14-15,18,22-24H,11-13H2,1-4H3,(H,30,33)/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464098 (CHEMBL4242635) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C27H35N3O2/c31-26(32)16-24(23-4-1-3-22(15-23)20-7-8-20)18-30-14-12-19(17-30)6-10-25-11-9-21-5-2-13-28-27(21)29-25/h1,3-4,9,11,15,19-20,24H,2,5-8,10,12-14,16-18H2,(H,28,29)(H,31,32)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464115 (CHEMBL4247149) Show SMILES Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-15-33(31-20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-14-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)30-25/h2,4,6,8,10-11,15-16,21,24H,3,5,7,9,12-14,17-19H2,1H3,(H,29,30)(H,34,35)/t21-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464112 (CHEMBL4248589) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r| Show InChI InChI=1S/C31H42N4O3/c36-30(37)19-27(26-16-25(23-4-5-23)17-29(18-26)35-12-14-38-15-13-35)21-34-11-9-22(20-34)3-7-28-8-6-24-2-1-10-32-31(24)33-28/h6,8,16-18,22-23,27H,1-5,7,9-15,19-21H2,(H,32,33)(H,36,37)/t22-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50464102 (CHEMBL4251444) Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H33N5O2/c33-26(34)17-23(22-4-1-6-25(16-22)32-14-3-13-29-32)19-31-15-11-20(18-31)7-9-24-10-8-21-5-2-12-28-27(21)30-24/h1,3-4,6,8,10,13-14,16,20,23H,2,5,7,9,11-12,15,17-19H2,(H,28,30)(H,33,34)/t20-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Strathclyde Curated by ChEMBL					Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay				J Med Chem 61: 8417-8443 (2018) Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418268 (CHEMBL1767137) Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C22H25N3O2/c1-24-13-5-6-17(24)15-25-22(26)20-8-4-3-7-19(20)21(23-25)14-16-9-11-18(27-2)12-10-16/h3-4,7-12,17H,5-6,13-15H2,1-2H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384819 (CHEMBL2037512) Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-5-17(6-2)23-26(33)30-22(21-13-18-9-7-8-10-19(18)14-21)27(34)31(23)24(25(32)28-4)20-12-11-16(3)29-15-20/h7-12,15,17,21-24H,5-6,13-14H2,1-4H3,(H,28,32)(H,30,33)/t22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384820 (EPELSIBAN | GSK557296B) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384803 (CHEMBL2037501) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391708 (CHEMBL1767136) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418267 (CHEMBL1767138) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391708 (CHEMBL1767136) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418266 (CHEMBL1767141) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(C)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C22H25N3O/c1-16-9-11-17(12-10-16)14-21-19-7-3-4-8-20(19)22(26)25(23-21)15-18-6-5-13-24(18)2/h3-4,7-12,18H,5-6,13-15H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384805 (CHEMBL2037499) Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22+,23+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418298 (CHEMBL1767134) Show SMILES CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C19H20ClN3O/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384812 (CHEMBL2037489) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H37N5O3/c1-17(2)13-22-26(34)30-24(21-14-18-9-7-8-10-19(18)15-21)27(35)33(22)25(28(36)32(5)6)20-11-12-23(29-16-20)31(3)4/h7-12,16-17,21-22,24-25H,13-15H2,1-6H3,(H,30,34)/t22-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391698 (CHEMBL2146801) Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-29-12-11-26-10-2-3-18(26)15-27-22(28)19-8-9-24-14-20(19)21(25-27)13-16-4-6-17(23)7-5-16/h4-9,14,18H,2-3,10-13,15H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384836 (CHEMBL2037487) Show SMILES COc1ccc(cn1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H36N4O5/c1-18(2)14-23-27(34)31-25(22-15-19-6-4-5-7-20(19)16-22)28(35)33(23)26(21-8-9-24(37-3)30-17-21)29(36)32-10-12-38-13-11-32/h4-9,17-18,22-23,25-26H,10-16H2,1-3H3,(H,31,34)/t23-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50341447 (4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...) Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r| Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418265 (CHEMBL1767149) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H21F2N3O/c1-25-10-4-5-15(25)13-26-21(27)17-7-3-2-6-16(17)20(24-26)12-14-8-9-18(22)19(23)11-14/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391702 (CHEMBL2146809) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418297 (CHEMBL1767154) Show SMILES CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50418296 (CHEMBL1767140) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C21H22FN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...				J Med Chem 54: 2183-95 (2011) Article DOI: 10.1021/jm1013874 BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50384811 (CHEMBL2037490) Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H39N5O4/c1-19(2)15-24-28(36)32-26(23-16-20-7-5-6-8-21(20)17-23)29(37)35(24)27(30(38)34-11-13-39-14-12-34)22-9-10-25(31-18-22)33(3)4/h5-10,18-19,23-24,26-27H,11-17H2,1-4H3,(H,32,36)/t24-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor				J Med Chem 55: 783-96 (2012) Article DOI: 10.1021/jm201287w BindingDB Entry DOI: 10.7270/Q2MS3TSH
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391707 (CHEMBL2146805) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50391699 (CHEMBL2146484) Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r| Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay				Bioorg Med Chem 20: 6097-108 (2012) Article DOI: 10.1016/j.bmc.2012.08.032 BindingDB Entry DOI: 10.7270/Q2NG4RQC
					More data for this Ligand-Target Pair

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