Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'spino' and Initial = 'c'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50566289 (CHEMBL4878158) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566283 (CHEMBL4876632) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)(Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566282 (CHEMBL4867453) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566306 (CHEMBL4876492) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566303 (CHEMBL4867913) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(O)=O)C1=O)[nH]c1ccccc21 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566310 (CHEMBL4855178) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NC(Cc1ccccc1)(Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566304 (CHEMBL4858171) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566301 (CHEMBL4876350) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566296 (CHEMBL4879304) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566308 (CHEMBL4857085) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C(C)(C)C1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566302 (CHEMBL4878369) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566290 (CHEMBL4857851) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2cc(OCc3ccccc3)ccc2C[C@@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566280 (CHEMBL4859698) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(O)=O)C(C)(C)c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566305 (CHEMBL4849012) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566307 (CHEMBL4862772) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2ccccc2C(C)C1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566291 (CHEMBL4863977) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)c(c1)C1CCCC1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566294 (CHEMBL4869716) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(OCc2ccccc2)c1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014620 (CHEMBL414173) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566309 (CHEMBL4876128) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566295 (CHEMBL4865796) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](C[C@@H]1C(O)=O)OCc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566311 (CHEMBL4876569) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@H](Cc1cc(C2CCCC2)c(O)c(c1)C1CCCC1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566281 (CHEMBL4858007) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566293 (CHEMBL4861483) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cc(C2CCCC2)c(O)c(c1)C1CCCC1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566287 (CHEMBL4855339) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)ccc1ccccc21 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566298 (CHEMBL4845895) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1C[C@H](C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OCc1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566286 (CHEMBL4870831) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1-c1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566299 (CHEMBL4863381) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CC[C@@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566288 (CHEMBL4870656) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1Cc2c(CN(CC(O)=O)C1=O)[nH]c1ccccc21 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510725 (CHEMBL4560144) Show SMILES Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C23H27Cl2N5/c24-20-5-4-6-21(25)19(20)15-30-14-9-18-22(26-16-27-23(18)30)29-12-7-17(8-13-29)28-10-2-1-3-11-28/h4-6,9,14,16-17H,1-3,7-8,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566297 (CHEMBL4871150) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@](C)(Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510722 (CHEMBL4572026) Show SMILES N#Cc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C24H28N6/c25-16-19-4-6-20(7-5-19)17-30-15-10-22-23(26-18-27-24(22)30)29-13-8-21(9-14-29)28-11-2-1-3-12-28/h4-7,10,15,18,21H,1-3,8-9,11-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566300 (CHEMBL4856918) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566292 (CHEMBL4854245) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cc(C2CCCC2)c(OCc2ccccc2)c(c1)C1CCCC1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510721 (CHEMBL4568106) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3ccc(cc3)C#N)c2n1 Show InChI InChI=1S/C24H27ClN6/c25-24-27-22(30-13-8-20(9-14-30)29-11-2-1-3-12-29)21-10-15-31(23(21)28-24)17-19-6-4-18(16-26)5-7-19/h4-7,10,15,20H,1-3,8-9,11-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510717 (CHEMBL4446112) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(CCN3CCOCC3)c2n1 Show InChI InChI=1S/C22H33ClN6O/c23-22-24-20(28-9-4-18(5-10-28)27-7-2-1-3-8-27)19-6-11-29(21(19)25-22)13-12-26-14-16-30-17-15-26/h6,11,18H,1-5,7-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510715 (CHEMBL4544939) Show SMILES Clc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H28ClN5/c24-19-6-4-18(5-7-19)16-29-15-10-21-22(25-17-26-23(21)29)28-13-8-20(9-14-28)27-11-2-1-3-12-27/h4-7,10,15,17,20H,1-3,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510720 (CHEMBL4476179) Show SMILES Fc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H27ClFN5/c24-23-26-21(29-13-8-19(9-14-29)28-11-2-1-3-12-28)20-10-15-30(22(20)27-23)16-17-4-6-18(25)7-5-17/h4-7,10,15,19H,1-3,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50177729 (Aplysamine-1 | CHEMBL380697 | aplysamine) Show SMILES CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br Show InChI InChI=1S/C15H24Br2N2O/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4/h10-11H,5-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of histamine H3 receptor (unknown origin)				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566285 (CHEMBL4879061) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(c1)-c1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510726 (CHEMBL4451014) Show SMILES C(Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1)N1CCOCC1 Show InChI InChI=1S/C22H34N6O/c1-2-7-26(8-3-1)19-4-9-27(10-5-19)21-20-6-11-28(22(20)24-18-23-21)13-12-25-14-16-29-17-15-25/h6,11,18-19H,1-5,7-10,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510714 (CHEMBL4526393) Show SMILES Fc1ccc(Cn2ccc3c(ncnc23)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H28FN5/c24-19-6-4-18(5-7-19)16-29-15-10-21-22(25-17-26-23(21)29)28-13-8-20(9-14-28)27-11-2-1-3-12-27/h4-7,10,15,17,20H,1-3,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566284 (CHEMBL4860998) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50566279 (CHEMBL4857723) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)c1ccccc1)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01941 BindingDB Entry DOI: 10.7270/Q24F1VHS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510719 (CHEMBL4436457) Show SMILES Clc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H27Cl2N5/c24-18-6-4-17(5-7-18)16-30-15-10-20-21(26-23(25)27-22(20)30)29-13-8-19(9-14-29)28-11-2-1-3-12-28/h4-7,10,15,19H,1-3,8-9,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510724 (CHEMBL4560119) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1 Show InChI InChI=1S/C23H26Cl3N5/c24-19-5-4-6-20(25)18(19)15-31-14-9-17-21(27-23(26)28-22(17)31)30-12-7-16(8-13-30)29-10-2-1-3-11-29/h4-6,9,14,16H,1-3,7-8,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510718 (CHEMBL4573388) Show SMILES Nc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(CCN3CCOCC3)c2n1 Show InChI InChI=1S/C22H35N7O/c23-22-24-20(28-9-4-18(5-10-28)27-7-2-1-3-8-27)19-6-11-29(21(19)25-22)13-12-26-14-16-30-17-15-26/h6,11,18H,1-5,7-10,12-17H2,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50462996 (CHEMBL4242249) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C27H30ClN5/c28-27-29-25(32-15-10-23(11-16-32)31-13-4-1-5-14-31)24-12-17-33(26(24)30-27)19-20-8-9-21-6-2-3-7-22(21)18-20/h2-3,6-9,12,17-18,23H,1,4-5,10-11,13-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50462998 (CHEMBL4241911) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3cccc4ccccc34)c2n1 Show InChI InChI=1S/C27H30ClN5/c28-27-29-25(32-16-11-22(12-17-32)31-14-4-1-5-15-31)24-13-18-33(26(24)30-27)19-21-9-6-8-20-7-2-3-10-23(20)21/h2-3,6-10,13,18,22H,1,4-5,11-12,14-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510723 (CHEMBL4439125) Show SMILES Clc1nc(N2CCC(CC2)N2CCOCC2)c2ccn(CCN3CCOCC3)c2n1 Show InChI InChI=1S/C21H31ClN6O2/c22-21-23-19(27-4-1-17(2-5-27)26-11-15-30-16-12-26)18-3-6-28(20(18)24-21)8-7-25-9-13-29-14-10-25/h3,6,17H,1-2,4-5,7-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	317	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50510713 (CHEMBL4476221) Show SMILES C(Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C21H32N6O2/c1-4-26(5-2-18(1)25-11-15-29-16-12-25)20-19-3-6-27(21(19)23-17-22-20)8-7-24-9-13-28-14-10-24/h3,6,17-18H,1-2,4-5,7-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...				Bioorg Med Chem 27: 3194-3200 (2019) Article DOI: 10.1016/j.bmc.2019.05.042 BindingDB Entry DOI: 10.7270/Q2P84G6K
					More data for this Ligand-Target Pair

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