Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'summers' and Initial = 'r'   

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
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558038 (CHEMBL4798311) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558038 (CHEMBL4798311) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558042 (CHEMBL4760798) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558042 (CHEMBL4760798) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558040 (CHEMBL4791094) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558040 (CHEMBL4791094) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558043 (CHEMBL4742346) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558043 (CHEMBL4742346) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558044 (CHEMBL4796474) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558044 (CHEMBL4796474) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50547989 (CHEMBL4747872) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50547989 (CHEMBL4747872) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558039 (CHEMBL4752265) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)C1CCC(=O)N1)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558039 (CHEMBL4752265) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)C1CCC(=O)N1)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558041 (CHEMBL4783899) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558041 (CHEMBL4783899) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558037 (CHEMBL4794137) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Relaxin-3 receptor 2 (Homo sapiens (Human))	BDBM50558037 (CHEMBL4794137) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01786 BindingDB Entry DOI: 10.7270/Q2PC3624
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50399931 (CHEMBL2181207) Show SMILES CCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1 Show InChI InChI=1S/C20H21ClN4/c1-2-9-25-12-14-3-5-16(11-19(14)23-13-25)24-18-7-8-22-20-10-15(21)4-6-17(18)20/h3-8,10-11,23H,2,9,12-13H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in rat after 2 to 3 days by patch clamp assay				J Med Chem 55: 10387-404 (2012) Article DOI: 10.1021/jm300831b BindingDB Entry DOI: 10.7270/Q2N017PR
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50396334 (CHEMBL2170034) Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCNCC2)cc1 Show InChI InChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...				J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50396333 (CHEMBL2170036) Show SMILES Clc1cccc(c1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCNCC2)cc1 Show InChI InChI=1S/C27H26Cl2N4/c28-22-3-1-2-21(16-22)27(32-25-10-11-31-26-17-23(29)8-9-24(25)26)20-6-4-19(5-7-20)18-33-14-12-30-13-15-33/h1-11,16-17,27,30H,12-15,18H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...				J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50563441 (CHEMBL4745810) Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)n2nc(C)nc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113227 BindingDB Entry DOI: 10.7270/Q2R49VH9
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptak...				J Med Chem 55: 10387-404 (2012) Article DOI: 10.1021/jm300831b BindingDB Entry DOI: 10.7270/Q2N017PR
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...				J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50563442 (CHEMBL4754685) Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(Cc3ccc(cc3)C(Nc3ccnc4cc(Cl)ccc34)c3cccc(Cl)c3)CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113227 BindingDB Entry DOI: 10.7270/Q2R49VH9
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...				J Med Chem 55: 6948-67 (2012) Article DOI: 10.1021/jm300802s BindingDB Entry DOI: 10.7270/Q2319X1X
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50338982 ((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...) Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r| Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptak...				J Med Chem 55: 10387-404 (2012) Article DOI: 10.1021/jm300831b BindingDB Entry DOI: 10.7270/Q2N017PR
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50353744 (CHEMBL1830986) Show SMILES CN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1 Show InChI InChI=1S/C25H24ClN3/c1-29(17-19-6-3-2-4-7-19)18-21-9-5-8-20(14-21)16-28-24-12-13-27-25-15-22(26)10-11-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...				J Med Chem 54: 6956-68 (2011) Article DOI: 10.1021/jm2009698 BindingDB Entry DOI: 10.7270/Q2GB24FN
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM35938 (1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...) Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50563440 (CHEMBL4784051) Show SMILES COc1cc(NC(c2ccc(CN3CCCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113227 BindingDB Entry DOI: 10.7270/Q2R49VH9
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50353743 (CHEMBL1830985) Show SMILES CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C25H24ClN3/c1-29(17-19-7-3-2-4-8-19)18-21-10-6-5-9-20(21)16-28-24-13-14-27-25-15-22(26)11-12-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...				J Med Chem 54: 6956-68 (2011) Article DOI: 10.1021/jm2009698 BindingDB Entry DOI: 10.7270/Q2GB24FN
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50020157 (CHEMBL3288457) Show SMILES CN(C)CCC(c1cccc(Cl)c1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13/h3-8,10,12,15H,9,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50563439 (CHEMBL4748649) Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113227 BindingDB Entry DOI: 10.7270/Q2R49VH9
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50020159 (CHEMBL3286418) Show SMILES CN(C)CCCC(c1cccc(Cl)c1)c1ccccn1 Show InChI InChI=1S/C17H21ClN2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM71542 ((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...) Show SMILES COc1cc(NC(C)CCCN)c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50353745 (CHEMBL1830987) Show SMILES CN(Cc1ccccc1)Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C25H24ClN3/c1-29(17-20-5-3-2-4-6-20)18-21-9-7-19(8-10-21)16-28-24-13-14-27-25-15-22(26)11-12-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...				J Med Chem 54: 6956-68 (2011) Article DOI: 10.1021/jm2009698 BindingDB Entry DOI: 10.7270/Q2GB24FN
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50017696 ((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...) Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50020160 (CHEMBL3288467) Show SMILES CN(C)CCCCC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C18H23ClN2/c1-21(2)14-6-4-7-17(18-8-3-5-13-20-18)15-9-11-16(19)12-10-15/h3,5,8-13,17H,4,6-7,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50399930 (CHEMBL2181208) Show SMILES Clc1ccc2c(Nc3ccc4CN(Cc5ccccc5)CNc4c3)ccnc2c1 Show InChI InChI=1S/C24H21ClN4/c25-19-7-9-21-22(10-11-26-24(21)12-19)28-20-8-6-18-15-29(16-27-23(18)13-20)14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptak...				J Med Chem 55: 10387-404 (2012) Article DOI: 10.1021/jm300831b BindingDB Entry DOI: 10.7270/Q2N017PR
					More data for this Ligand-Target Pair
Chloroquine resistance transporter (Plasmodium falciparum)	BDBM50020154 (CHEMBL3288452) Show SMILES CCN(CC)C\C=C(/c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C18H21ClN2/c1-3-21(4-2)14-12-17(18-7-5-6-13-20-18)15-8-10-16(19)11-9-15/h5-13H,3-4,14H2,1-2H3/b17-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...				ACS Med Chem Lett 5: 576-81 (2014) Article DOI: 10.1021/ml5000228 BindingDB Entry DOI: 10.7270/Q22V2HPS
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50029747 ((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...) Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50119368 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50134488 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1 Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50134486 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r| Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Adrenocorticotropic hormone receptor (Mus musculus)	BDBM50134486 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r| Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50134487 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2cccc(Cl)c2Cn2cncn2)cc1 Show InChI InChI=1S/C32H33Cl2N7O2/c33-25-10-8-22(9-11-25)16-29(38-31(42)28-17-23-4-1-2-5-24(23)18-36-28)32(43)40-14-12-39(13-15-40)30-7-3-6-27(34)26(30)19-41-21-35-20-37-41/h1-11,20-21,28-29,36H,12-19H2,(H,38,42)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	470	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50134488 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1 Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Adrenocorticotropic hormone receptor (Mus musculus)	BDBM50119368 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50134489 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2NC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C35H35ClN6O3/c36-28-13-11-24(12-14-28)20-31(40-34(44)30-21-25-6-1-2-7-26(25)23-38-30)35(45)42-18-16-41(17-19-42)32-10-4-3-9-29(32)39-33(43)27-8-5-15-37-22-27/h1-15,22,30-31,38H,16-21,23H2,(H,39,43)(H,40,44)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)				Bioorg Med Chem Lett 13: 3793-6 (2003) BindingDB Entry DOI: 10.7270/Q2P26ZNW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 106 total )  |  Next  |  Last  >>

Jump to: