Compile Data Set for Download or QSAR

Found 783 hits with Last Name = 'parker' and Initial = 'j'   

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
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1 (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1 (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1 (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-4 (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-4 (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-4 (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Cholinergic receptor, nicotinic alpha 1 (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1 (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Cholinergic receptor nicotinic alpha 5 subunit (Xenopus)	BDBM86040 (NBEP) Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-4 (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Cholinergic receptor, nicotinic alpha 1 (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Cholinergic receptor nicotinic alpha 5 subunit (Xenopus)	BDBM86041 (NFEP) Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Cholinergic receptor, nicotinic alpha 1 (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Cholinergic receptor, nicotinic alpha 1 (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152799 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C36H45ClN6O2/c1-25(40-30-9-6-16-38-24-30)31-10-4-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)32-22-27-7-2-3-8-28(27)23-39-32/h2-5,7-8,10-15,25,30,32-33,38-40H,6,9,16-24H2,1H3,(H,41,44)/t25?,30?,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Cholinergic receptor nicotinic alpha 5 subunit (Xenopus)	BDBM86045 (NNEP) Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-2 (Xenopus)	BDBM86044 (NTEP) Show SMILES FC(F)(F)S(=O)(=O)Oc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:11:14:17.18:20| Show InChI InChI=1S/C12H13F3N2O3S/c13-12(14,15)21(18,19)20-11-4-1-7(6-16-11)9-5-8-2-3-10(9)17-8/h1,4,6,8-10,17H,2-3,5H2/t8?,9-,10?/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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)c2ccccc2CNCCc2cccs2)cc1 |r| Show InChI InChI=1S/C36H40ClN5O2S/c37-30-13-11-26(12-14-30)22-33(40-35(43)32-23-27-6-1-2-7-28(27)25-39-32)36(44)42-19-17-41(18-20-42)34-10-4-3-8-29(34)24-38-16-15-31-9-5-21-45-31/h1-14,21,32-33,38-39H,15-20,22-25H2,(H,40,43)/t32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Cholinergic receptor nicotinic alpha 5 subunit (Xenopus)	BDBM86042 (NEP) Show SMILES C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152800 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NC1CCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C36H44ClN5O2/c1-25(39-30-10-4-5-11-30)31-12-6-7-13-34(31)41-18-20-42(21-19-41)36(44)33(22-26-14-16-29(37)17-15-26)40-35(43)32-23-27-8-2-3-9-28(27)24-38-32/h2-3,6-9,12-17,25,30,32-33,38-39H,4-5,10-11,18-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152808 ((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)c2ccccc2CNCCc2cccs2)cc1 |r| Show InChI InChI=1S/C36H40ClN5O2S/c37-30-13-11-26(12-14-30)22-33(40-35(43)32-23-27-6-1-2-7-28(27)25-39-32)36(44)42-19-17-41(18-20-42)34-10-4-3-8-29(34)24-38-16-15-31-9-5-21-45-31/h1-14,21,32-33,38-39H,15-20,22-25H2,(H,40,43)/t32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152807 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NCc1ccco1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C36H40ClN5O3/c1-25(38-24-30-9-6-20-45-30)31-10-4-5-11-34(31)41-16-18-42(19-17-41)36(44)33(21-26-12-14-29(37)15-13-26)40-35(43)32-22-27-7-2-3-8-28(27)23-39-32/h2-15,20,25,32-33,38-39H,16-19,21-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152802 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(N[C@H]1CCCCC1N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C37H47ClN6O2/c1-25(41-32-12-6-5-11-31(32)39)30-10-4-7-13-35(30)43-18-20-44(21-19-43)37(46)34(22-26-14-16-29(38)17-15-26)42-36(45)33-23-27-8-2-3-9-28(27)24-40-33/h2-4,7-10,13-17,25,31-34,40-41H,5-6,11-12,18-24,39H2,1H3,(H,42,45)/t25?,31?,32-,33+,34+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50338518 (1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...) Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 21: 1810-4 (2011) Article DOI: 10.1016/j.bmcl.2011.01.055 BindingDB Entry DOI: 10.7270/Q28W3DM7
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152816 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES Fc1cccc(CCNCc2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c1 Show InChI InChI=1S/C38H41ClFN5O2/c39-32-14-12-28(13-15-32)23-35(43-37(46)34-24-29-7-1-2-8-30(29)26-42-34)38(47)45-20-18-44(19-21-45)36-11-4-3-9-31(36)25-41-17-16-27-6-5-10-33(40)22-27/h1-15,22,34-35,41-42H,16-21,23-26H2,(H,43,46)/t34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50155393 (4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1 (Xenopus)	BDBM50063218 ((R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...) Show SMILES Clc1ccc(cn1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50155370 (CHEMBL186074 | Piperidine-3-carboxylic acid [(R)-1...) Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 Show InChI InChI=1S/C32H40ClN5O2S/c33-27-11-9-24(10-12-27)21-29(36-31(39)26-6-3-14-34-23-26)32(40)38-18-16-37(17-19-38)30-8-2-1-5-25(30)22-35-15-13-28-7-4-20-41-28/h1-2,4-5,7-12,20,26,29,34-35H,3,6,13-19,21-23H2,(H,36,39)/t26?,29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152813 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES C[C@H]1CN(Cc2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)[C@@H](C)CN1 Show InChI InChI=1S/C36H45ClN6O2/c1-25-23-43(26(2)21-38-25)24-30-9-5-6-10-34(30)41-15-17-42(18-16-41)36(45)33(19-27-11-13-31(37)14-12-27)40-35(44)32-20-28-7-3-4-8-29(28)22-39-32/h3-14,25-26,32-33,38-39H,15-24H2,1-2H3,(H,40,44)/t25-,26-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50155390 (3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C29H36ClN5O2S/c30-24-9-7-22(8-10-24)20-26(33-28(36)11-13-31)29(37)35-17-15-34(16-18-35)27-6-2-1-4-23(27)21-32-14-12-25-5-3-19-38-25/h1-10,19,26,32H,11-18,20-21,31H2,(H,33,36)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152817 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C34H40ClN5O2/c1-23(37-28-14-15-28)29-8-4-5-9-32(29)39-16-18-40(19-17-39)34(42)31(20-24-10-12-27(35)13-11-24)38-33(41)30-21-25-6-2-3-7-26(25)22-36-30/h2-13,23,28,30-31,36-37H,14-22H2,1H3,(H,38,41)/t23?,30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152797 ((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...) Show SMILES CC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C37H42ClN5O2S/c1-26(39-17-16-31-9-6-22-46-31)32-10-4-5-11-35(32)42-18-20-43(21-19-42)37(45)34(23-27-12-14-30(38)15-13-27)41-36(44)33-24-28-7-2-3-8-29(28)25-40-33/h2-15,22,26,33-34,39-40H,16-21,23-25H2,1H3,(H,41,44)/t26?,33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152810 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CN2CCC(CC2)N2CCCC2)cc1 Show InChI InChI=1S/C39H49ClN6O2/c40-33-13-11-29(12-14-33)25-36(42-38(47)35-26-30-7-1-2-8-31(30)27-41-35)39(48)46-23-21-45(22-24-46)37-10-4-3-9-32(37)28-43-19-15-34(16-20-43)44-17-5-6-18-44/h1-4,7-14,34-36,41H,5-6,15-28H2,(H,42,47)/t35-,36-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					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	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor at 10 uM				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152796 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NC1CCC(N)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |wU:24.36,36.39,(-2.68,1.48,;-4,2.25,;-4,3.77,;-5.35,4.52,;-5.37,6.09,;-6.7,6.83,;-8.04,6.07,;-9.36,6.81,;-8.02,4.52,;-6.67,3.75,;-5.33,1.48,;-6.67,2.24,;-8.02,1.48,;-8.02,-.05,;-6.67,-.81,;-5.33,-.05,;-4,-.81,;-4,-2.34,;-2.66,-3.09,;-1.31,-2.34,;-1.31,-.81,;-2.66,-.05,;.01,-3.09,;.01,-4.62,;1.37,-2.35,;1.37,-.81,;2.12,.5,;1.33,1.8,;2.1,3.12,;3.65,3.15,;4.39,4.48,;4.45,1.83,;3.67,.51,;2.7,-3.12,;4.04,-2.35,;4.04,-.84,;5.39,-3.12,;6.71,-2.37,;8.06,-3.14,;9.38,-2.37,;10.72,-3.14,;10.72,-4.67,;9.38,-5.43,;8.06,-4.66,;6.71,-5.41,;5.38,-4.65,)| Show InChI InChI=1S/C37H47ClN6O2/c1-25(41-31-16-14-30(39)15-17-31)32-8-4-5-9-35(32)43-18-20-44(21-19-43)37(46)34(22-26-10-12-29(38)13-11-26)42-36(45)33-23-27-6-2-3-7-28(27)24-40-33/h2-13,25,30-31,33-34,40-41H,14-24,39H2,1H3,(H,42,45)/t25?,30?,31?,33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50155401 (CHEMBL363122 | Piperidine-4-carboxylic acid [(R)-1...) Show SMILES Clc1ccc(C[C@@H](NC(=O)C2CCNCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 Show InChI InChI=1S/C32H40ClN5O2S/c33-27-9-7-24(8-10-27)22-29(36-31(39)25-11-14-34-15-12-25)32(40)38-19-17-37(18-20-38)30-6-2-1-4-26(30)23-35-16-13-28-5-3-21-41-28/h1-10,21,25,29,34-35H,11-20,22-23H2,(H,36,39)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152818 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50152806 ((R)-N-((R)-1-(4-(2-(aminomethyl)phenyl)piperazin-1...) Show SMILES NCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |r| Show InChI InChI=1S/C30H34ClN5O2/c31-25-11-9-21(10-12-25)17-27(34-29(37)26-18-22-5-1-2-7-24(22)20-33-26)30(38)36-15-13-35(14-16-36)28-8-4-3-6-23(28)19-32/h1-12,26-27,33H,13-20,32H2,(H,34,37)/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor at 10 uM				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50140541 ((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidi...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C12H20F2N2O/c13-12(14)6-7-16(8-12)11(17)10(15)9-4-2-1-3-5-9/h9-10H,1-8,15H2/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory constant against Dipeptidylpeptidase IV activity				Bioorg Med Chem Lett 15: 4770-3 (2005) Article DOI: 10.1016/j.bmcl.2005.07.026 BindingDB Entry DOI: 10.7270/Q28K78M0
					More data for this Ligand-Target Pair
neuronal acetylcholine receptor subunit alpha-4 (Xenopus)	BDBM50063218 ((R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...) Show SMILES Clc1ccc(cn1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Miami Curated by PDSP Ki Database									J Pharmacol Exp Ther 302: 1246-52 (2002) Article DOI: 10.1124/jpet.102.035899 BindingDB Entry DOI: 10.7270/Q2HQ3XG3
					More data for this Ligand-Target Pair

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