Compile Data Set for Download or QSAR

Found 2169 hits with Last Name = 'xia' and Initial = 'm'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.00230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220995 (CHEMBL77788) Show SMILES COc1ccc(\C=N\NC(C)=O)cc1OC1CCCC1 Show InChI InChI=1S/C15H20N2O3/c1-11(18)17-16-10-12-7-8-14(19-2)15(9-12)20-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,17,18)/b16-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221005 (CHEMBL75684) Show SMILES CCC(=O)N\N=C(/C)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C17H24N2O3/c1-4-17(20)19-18-12(2)13-9-10-15(21-3)16(11-13)22-14-7-5-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,19,20)/b18-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220998 (CHEMBL76382) Show SMILES COc1ccc(\C=N\N=C(\N)S)cc1OC1CCCC1 Show InChI InChI=1S/C14H19N3O2S/c1-18-12-7-6-10(9-16-17-14(15)20)8-13(12)19-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,20)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221003 (CHEMBL432348) Show SMILES COc1ccc(\C=N\NC(N)=O)cc1OC1CCCC1 Show InChI InChI=1S/C14H19N3O3/c1-19-12-7-6-10(9-16-17-14(15)18)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H3,15,17,18)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220997 (CHEMBL78237) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(C)=O Show InChI InChI=1S/C16H22N2O3/c1-11(17-18-12(2)19)13-8-9-15(20-3)16(10-13)21-14-6-4-5-7-14/h8-10,14H,4-7H2,1-3H3,(H,18,19)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221006 (CHEMBL77358) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\NC(N)=O Show InChI InChI=1S/C15H21N3O3/c1-10(17-18-15(16)19)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,19)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220999 (CHEMBL77745) Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(\N)S Show InChI InChI=1S/C15H21N3O2S/c1-10(17-18-15(16)21)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H3,16,18,21)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474799 (CHEMBL416690) Show SMILES Cc1ccc(CC2CCN(Cc3nc4cc(O)ccc4[nH]3)CC2)cc1 Show InChI InChI=1S/C21H25N3O/c1-15-2-4-16(5-3-15)12-17-8-10-24(11-9-17)14-21-22-19-7-6-18(25)13-20(19)23-21/h2-7,13,17,25H,8-12,14H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474791 (CHEMBL65693) Show SMILES CS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C21H19N3O3S/c1-28(25,26)24-16-9-12-19-20(14-16)23-21(22-19)13-15-7-10-18(11-8-15)27-17-5-3-2-4-6-17/h2-12,14,24H,13H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474809 (CHEMBL65454) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4c(F)cccc4F)CC3)nc2c1 Show InChI InChI=1S/C20H21F2N3O/c21-16-2-1-3-17(22)15(16)10-13-6-8-25(9-7-13)12-20-23-18-5-4-14(26)11-19(18)24-20/h1-5,11,13,26H,6-10,12H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474789 (CHEMBL68134) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccccc4F)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-17-4-2-1-3-15(17)11-14-7-9-24(10-8-14)13-20-22-18-6-5-16(25)12-19(18)23-20/h1-6,12,14,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50204862 (CHEMBL436521 | N-(2-((4-benzylpiperidin-1-yl)methy...) Show SMILES CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C21H26N4O2S/c1-28(26,27)24-18-7-8-19-20(14-18)23-21(22-19)15-25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14,17,24H,9-13,15H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474796 (CHEMBL64941) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4ccc(F)cc4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220996 (CHEMBL76635) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(N)=O)\c1ccccc1 Show InChI InChI=1S/C20H23N3O3/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(22-23-20(21)24)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,24)/b22-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50143890 (2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...) Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1 Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221004 (CHEMBL77999) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])\c1ccccc1 Show InChI InChI=1S/C20H24N4O2/c1-25-17-12-11-15(13-18(17)26-16-9-5-6-10-16)19(23-24-20(21)22)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H4,21,22,24)/b23-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221001 (CHEMBL76257) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1 Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220993 (CHEMBL78238) Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1 Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221007 (CHEMBL80258) Show SMILES CCC(=O)N\N=C\c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C16H22N2O3/c1-3-16(19)18-17-11-12-8-9-14(20-2)15(10-12)21-13-6-4-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474808 (CHEMBL65314) Show SMILES CCS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C22H21N3O3S/c1-2-29(26,27)25-17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15,25H,2,14H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474792 (CHEMBL63200) Show SMILES Oc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C20H16N2O2/c23-15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13,23H,12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
VIP peptides (Homo sapiens (Human))	BDBM85078 (CAS_150828-75-4 | Ro 25-1392) Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 629-33 (1997) BindingDB Entry DOI: 10.7270/Q26T0K51
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221002 (CHEMBL306320) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](\[#6])=[#7]\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474790 (CHEMBL303832) Show SMILES Oc1ccc2[nH]c(CN3CCC(Cc4cccc(F)c4)CC3)nc2c1 Show InChI InChI=1S/C20H22FN3O/c21-16-3-1-2-15(11-16)10-14-6-8-24(9-7-14)13-20-22-18-5-4-17(25)12-19(18)23-20/h1-5,11-12,14,25H,6-10,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50221000 (CHEMBL431962) Show SMILES CCC(=O)N\N=C(/c1ccccc1)c1ccc(OC)c(OC2CCCC2)c1 Show InChI InChI=1S/C22H26N2O3/c1-3-21(25)23-24-22(16-9-5-4-6-10-16)17-13-14-19(26-2)20(15-17)27-18-11-7-8-12-18/h4-6,9-10,13-15,18H,3,7-8,11-12H2,1-2H3,(H,23,25)/b24-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM50220994 (CHEMBL77177) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#7]\[#7]=[#6](/[#7])-[#7])cc1-[#8]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C14H20N4O2/c1-19-12-7-6-10(9-17-18-14(15)16)8-13(12)20-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H4,15,16,18)/b17-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2 (Homo sapiens (Human))	BDBM85078 (CAS_150828-75-4 | Ro 25-1392) Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 629-33 (1997) BindingDB Entry DOI: 10.7270/Q26T0K51
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474807 (CHEMBL304274) Show SMILES CC(C)S(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C23H23N3O3S/c1-16(2)30(27,28)26-18-10-13-21-22(15-18)25-23(24-21)14-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,15-16,26H,14H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2 (Homo sapiens (Human))	BDBM85078 (CAS_150828-75-4 | Ro 25-1392) Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 629-33 (1997) BindingDB Entry DOI: 10.7270/Q26T0K51
					More data for this Ligand-Target Pair
Vasoactive intestinal polypeptide receptor 2 (Homo sapiens (Human))	BDBM85078 (CAS_150828-75-4 | Ro 25-1392) Show SMILES CCCCCCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)CC)C(=O)NC(CC(N)=O)C(=O)N1)C(C)CC)C(N)=O |r| Show InChI InChI=1S/C65H111N15O13/c1-9-12-13-14-15-16-20-29-44(55(69)83)72-58(86)47(31-22-25-34-67)75-64(92)53(40(6)10-2)80-63(91)50-38-52(82)70-35-26-23-32-46(74-59(87)45(30-21-24-33-66)73-57(85)42(8)71-56(84)39(4)5)60(88)76-48(36-43-27-18-17-19-28-43)62(90)79-54(41(7)11-3)65(93)78-49(37-51(68)81)61(89)77-50/h17-19,27-28,39-42,44-50,53-54H,9-16,20-26,29-38,66-67H2,1-8H3,(H2,68,81)(H2,69,83)(H,70,82)(H,71,84)(H,72,86)(H,73,85)(H,74,87)(H,75,92)(H,76,88)(H,77,89)(H,78,93)(H,79,90)(H,80,91)/t40?,41?,42-,44-,45-,46-,47-,48-,49?,50-,53-,54-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco Curated by PDSP Ki Database									J Pharmacol Exp Ther 281: 629-33 (1997) BindingDB Entry DOI: 10.7270/Q26T0K51
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474794 (CHEMBL66539) Show SMILES O=S(=O)(Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)c1ccccc1 Show InChI InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474793 (CHEMBL63992) Show SMILES CCCS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C23H23N3O3S/c1-2-14-30(27,28)26-18-10-13-21-22(16-18)25-23(24-21)15-17-8-11-20(12-9-17)29-19-6-4-3-5-7-19/h3-13,16,26H,2,14-15H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Rattus norvegicus)	BDBM50212873 (((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...) Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay				Eur J Med Chem 52: 70-81 (2012) Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Rattus norvegicus)	BDBM50381857 (CHEMBL2023268) Show SMILES OC(=O)\C=C\c1cn(Cc2ccccc2F)c2ccccc12 Show InChI InChI=1S/C18H14FNO2/c19-16-7-3-1-5-14(16)12-20-11-13(9-10-18(21)22)15-6-2-4-8-17(15)20/h1-11H,12H2,(H,21,22)/b10-9+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay				Eur J Med Chem 52: 70-81 (2012) Article DOI: 10.1016/j.ejmech.2012.03.006 BindingDB Entry DOI: 10.7270/Q26H4JD5
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474797 (CHEMBL65245) Show SMILES CC(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C22H19N3O2/c1-15(26)23-17-9-12-20-21(14-17)25-22(24-20)13-16-7-10-19(11-8-16)27-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474801 (CHEMBL63924) Show SMILES Oc1cccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc12 Show InChI InChI=1S/C20H16N2O2/c23-18-8-4-7-17-20(18)22-19(21-17)13-14-9-11-16(12-10-14)24-15-5-2-1-3-6-15/h1-12,23H,13H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474802 (CHEMBL65119) Show SMILES Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C20H17N3O/c21-15-8-11-18-19(13-15)23-20(22-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13H,12,21H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474795 (CHEMBL65039) Show SMILES CC(C)S(=O)(=O)Nc1ccc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc2c1 Show InChI InChI=1S/C23H30N4O2S/c1-17(2)30(28,29)26-20-8-9-21-22(15-20)25-23(24-21)16-27-12-10-19(11-13-27)14-18-6-4-3-5-7-18/h3-9,15,17,19,26H,10-14,16H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474804 (CHEMBL67249) Show SMILES C(c1nc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H16N2O/c1-2-6-16(7-3-1)23-17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474800 (CHEMBL304070) Show SMILES C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1 Show InChI InChI=1S/C20H23N3/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474798 (CHEMBL61895) Show SMILES CN(c1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)S(C)(=O)=O Show InChI InChI=1S/C22H21N3O3S/c1-25(29(2,26)27)17-10-13-20-21(15-17)24-22(23-20)14-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474806 (CHEMBL63474) Show SMILES N#Cc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C21H15N3O/c22-14-16-8-11-19-20(12-16)24-21(23-19)13-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474805 (CHEMBL63146) Show SMILES [O-][N+](=O)c1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C20H15N3O3/c24-23(25)15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)26-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Homo sapiens (Human))	BDBM50474803 (CHEMBL67196) Show SMILES COc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C21H18N2O2/c1-24-18-11-12-19-20(14-18)23-21(22-19)13-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cel...				J Med Chem 47: 2089-96 (2004) Article DOI: 10.1021/jm030483s BindingDB Entry DOI: 10.7270/Q2348P41
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50146577 (CHEMBL102311 | spirobenzoxazines analogues) Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28| Show InChI InChI=1S/C30H30N2O3/c1-35-27-12-6-4-10-25(27)28(33)31-24-15-13-22(14-16-24)29(34)32-20-19-30(17-7-2-8-18-30)21-23-9-3-5-11-26(23)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin receptor				Bioorg Med Chem Lett 14: 2987-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.103 BindingDB Entry DOI: 10.7270/Q2BK1BSD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50377038 (CHEMBL258205) Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1| Show InChI InChI=1S/C29H33Cl2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity at human CCR2 receptor				Bioorg Med Chem Lett 18: 3562-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.010 BindingDB Entry DOI: 10.7270/Q2Q52QGK
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C (Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
LEAD GENE CO., LTD Curated by ChEMBL					Assay Description Inhibitory activity against purified rat liver phosphodiesterase 4				Bioorg Med Chem Lett 13: 2355-8 (2003) BindingDB Entry DOI: 10.7270/Q2CZ39CG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BLK (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2017.12.079 BindingDB Entry DOI: 10.7270/Q2P272TR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50382932 (CHEMBL2029422) Show SMILES O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)| Show InChI InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CCR2-mediated Erk phosphorylation				ACS Med Chem Lett 2: 913-918 (2011) Article DOI: 10.1021/ml200199c BindingDB Entry DOI: 10.7270/Q29024TK
					More data for this Ligand-Target Pair

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