Compile Data Set for Download or QSAR

Found 2990 hits with Last Name = 'smith' and Initial = 'gf'   

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
Prothrombin (Homo sapiens (Human))	BDBM50075926 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H38N2O2S/c1-37-31-21-25(8-11-27(31)23-35-17-4-5-18-35)20-30-29-13-12-28(36)22-32(29)38-33(30)26-9-6-24(7-10-26)14-19-34-15-2-3-16-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075934 (2-[4-(2-Amino-3-hydroxy-propoxy)-phenyl]-3-(3-meth...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCC(N)CO)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C30H34N2O4S/c1-35-28-15-20(4-5-22(28)17-32-12-2-3-13-32)14-27-26-11-8-24(34)16-29(26)37-30(27)21-6-9-25(10-7-21)36-19-23(31)18-33/h4-11,15-16,23,33-34H,2-3,12-14,17-19,31H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075937 (2-{4-[2-(2-Hydroxymethyl-pyrrolidin-1-yl)-ethoxy]-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3CO)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C34H40N2O4S/c1-39-32-20-24(6-7-26(32)22-35-14-2-3-15-35)19-31-30-13-10-28(38)21-33(30)41-34(31)25-8-11-29(12-9-25)40-18-17-36-16-4-5-27(36)23-37/h6-13,20-21,27,37-38H,2-5,14-19,22-23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075928 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[6-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)nc2)ccc1CN1CCCC1 Show InChI InChI=1S/C32H37N3O3S/c1-37-29-19-23(6-7-25(29)22-35-14-4-5-15-35)18-28-27-10-9-26(36)20-30(27)39-32(28)24-8-11-31(33-21-24)38-17-16-34-12-2-3-13-34/h6-11,19-21,36H,2-5,12-18,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075938 (3-(3-Methoxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H38N2O3S/c1-37-31-21-24(6-7-26(31)23-35-16-4-5-17-35)20-30-29-13-10-27(36)22-32(29)39-33(30)25-8-11-28(12-9-25)38-19-18-34-14-2-3-15-34/h6-13,21-22,36H,2-5,14-20,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075932 (2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-N-{4-[...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H37N3O5S2/c1-41-30-19-23(4-5-25(30)21-35-12-2-3-13-35)18-29-28-11-10-27(37)20-31(28)42-33(29)24-6-8-26(9-7-24)34-32(38)22-36-14-16-43(39,40)17-15-36/h4-11,19-20,37H,2-3,12-18,21-22H2,1H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075935 (3-(3-Methyl-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-(...) Show SMILES Cc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H38N2O2S/c1-24-20-25(6-7-27(24)23-35-16-4-5-17-35)21-31-30-13-10-28(36)22-32(30)38-33(31)26-8-11-29(12-9-26)37-19-18-34-14-2-3-15-34/h6-13,20,22,36H,2-5,14-19,21,23H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197248 (CHEMBL246244 | N-(2-methyl-2-phenylpropyl)-5,6,7,8...) Show SMILES CC(C)(CNC(=O)c1cnc2CCCCc2n1)c1ccccc1 Show InChI InChI=1S/C19H23N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197275 (CHEMBL246023 | N-(2-(4-fluorophenyl)-2-methylpropy...) Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccc(F)cc1 Show InChI InChI=1S/C19H18FN3O/c1-19(2,13-7-9-14(20)10-8-13)12-22-18(24)17-11-21-15-5-3-4-6-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075931 (3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PY...) Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(Br)c3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H35BrN2O2S/c33-30-20-23(5-6-25(30)22-35-15-3-4-16-35)19-29-28-12-9-26(36)21-31(28)38-32(29)24-7-10-27(11-8-24)37-18-17-34-13-1-2-14-34/h5-12,20-21,36H,1-4,13-19,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50075939 (2-Dimethylamino-N-{4-[6-hydroxy-3-(3-methoxy-4-pyr...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN(C)C)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C31H35N3O3S/c1-33(2)20-30(36)32-24-10-8-22(9-11-24)31-27(26-13-12-25(35)18-29(26)38-31)16-21-6-7-23(28(17-21)37-3)19-34-14-4-5-15-34/h6-13,17-18,35H,4-5,14-16,19-20H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197254 (CHEMBL246250 | N-((1r,4r)-4-methylcyclohexyl)-5-(p...) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1 |wU:4.7,wD:1.0,(7.01,-30.31,;5.68,-31.07,;4.34,-30.31,;3.01,-31.08,;3.02,-32.61,;4.35,-33.38,;5.68,-32.61,;1.69,-33.39,;.35,-32.62,;.35,-31.08,;-.98,-33.4,;-.97,-34.95,;-2.31,-35.72,;-3.64,-34.95,;-3.64,-33.4,;-2.31,-32.63,;-4.97,-35.72,;-6.31,-34.95,;-7.64,-35.71,;-7.65,-37.25,;-6.31,-38.02,;-4.97,-37.26,)| Show InChI InChI=1S/C17H26N4O/c1-13-5-7-14(8-6-13)20-17(22)15-11-19-16(12-18-15)21-9-3-2-4-10-21/h11-14H,2-10H2,1H3,(H,20,22)/t13-,14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197249 (CHEMBL245819 | N-(2-methyl-2-phenylpropyl)quinoxal...) Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 Show InChI InChI=1S/C19H19N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075927 (2-[4-(2-Amino-ethoxy)-phenyl]-3-(3-methoxy-4-pyrro...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C29H32N2O3S/c1-33-27-17-20(4-5-22(27)19-31-13-2-3-14-31)16-26-25-11-8-23(32)18-28(25)35-29(26)21-6-9-24(10-7-21)34-15-12-30/h4-11,17-18,32H,2-3,12-16,19,30H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075930 (2-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-3-(4-pyrro...) Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)cc3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H36N2O2S/c35-27-11-14-29-30(21-24-5-7-25(8-6-24)23-34-17-3-4-18-34)32(37-31(29)22-27)26-9-12-28(13-10-26)36-20-19-33-15-1-2-16-33/h5-14,22,35H,1-4,15-21,23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075933 (2-[4-(2-Amino-ethyl)-phenyl]-3-(3-methoxy-4-pyrrol...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(CCN)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C29H32N2O2S/c1-33-27-17-21(6-9-23(27)19-31-14-2-3-15-31)16-26-25-11-10-24(32)18-28(25)34-29(26)22-7-4-20(5-8-22)12-13-30/h4-11,17-18,32H,2-3,12-16,19,30H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075941 (3-(3-Hydroxy-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-...) Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(O)c3)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C32H36N2O3S/c35-26-9-12-28-29(19-23-5-6-25(30(36)20-23)22-34-15-3-4-16-34)32(38-31(28)21-26)24-7-10-27(11-8-24)37-18-17-33-13-1-2-14-33/h5-12,20-21,35-36H,1-4,13-19,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075929 (2-Amino-N-{4-[6-hydroxy-3-(3-methoxy-4-pyrrolidin-...) Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C29H31N3O3S/c1-35-26-15-19(4-5-21(26)18-32-12-2-3-13-32)14-25-24-11-10-23(33)16-27(24)36-29(25)20-6-8-22(9-7-20)31-28(34)17-30/h4-11,15-16,33H,2-3,12-14,17-18,30H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075940 (5-{6-Hydroxy-2-[4-(2-pyrrolidin-1-yl-ethoxy)-pheny...) Show SMILES Oc1ccc2c(Cc3ccc(CN4CCCC4)c(c3)C#N)c(sc2c1)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C33H35N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197247 (CHEMBL246251 | N-cycloheptyl-5-(piperidin-1-yl)pyr...) Show SMILES O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1 Show InChI InChI=1S/C17H26N4O/c22-17(20-14-8-4-1-2-5-9-14)15-12-19-16(13-18-15)21-10-6-3-7-11-21/h12-14H,1-11H2,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197268 (5-(4-(hydroxymethyl)piperidin-1-yl)-N-((1r,4r)-4-m...) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1 |wU:4.7,wD:1.0,(9.04,-40.15,;7.71,-40.92,;6.38,-40.15,;5.04,-40.92,;5.05,-42.45,;6.38,-43.22,;7.71,-42.46,;3.72,-43.23,;2.38,-42.46,;2.38,-40.92,;1.05,-43.24,;1.06,-44.79,;-.28,-45.56,;-1.61,-44.79,;-1.61,-43.25,;-.28,-42.48,;-2.95,-45.56,;-4.28,-44.79,;-5.61,-45.55,;-5.62,-47.09,;-6.96,-47.85,;-8.29,-47.08,;-4.29,-47.87,;-2.94,-47.1,)| Show InChI InChI=1S/C18H28N4O2/c1-13-2-4-15(5-3-13)21-18(24)16-10-20-17(11-19-16)22-8-6-14(12-23)7-9-22/h10-11,13-15,23H,2-9,12H2,1H3,(H,21,24)/t13-,15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50075936 (3-(3-Aminomethyl-4-pyrrolidin-1-ylmethyl-benzyl)-2...) Show SMILES NCc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(OCCN3CCCC3)cc2)ccc1CN1CCCC1 Show InChI InChI=1S/C33H39N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,22-23,34H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197272 (CHEMBL246245 | N-(2-methyl-2-phenylpropyl)-6-(pipe...) Show SMILES CC(C)(CNC(=O)c1cncc(n1)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-22-19(25)17-13-21-14-18(23-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197276 (5-((2-cyanoethyl)(methyl)amino)-N-(2-methyl-2-phen...) Show SMILES CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 Show InChI InChI=1S/C19H23N5O/c1-19(2,15-8-5-4-6-9-15)14-23-18(25)16-12-22-17(13-21-16)24(3)11-7-10-20/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25)	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197266 (CHEMBL246024 | N-(2-methoxy-2-phenylpropyl)quinoxa...) Show SMILES COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:2.2| Show InChI InChI=1S/C19H19N3O2/c1-19(24-2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197255 (CHEMBL443489 | N-(2-methyl-2-phenylpropyl)-5-(pipe...) Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCCCC1)c1ccccc1 Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-23-19(25)17-13-22-18(14-21-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197265 (CHEMBL241699 | N-(2-phenylpropyl)quinoxaline-2-car...) Show SMILES CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 |w:1.0| Show InChI InChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357272 (CHEMBL1916498) Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1 Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197270 ((R)-6-(2-hydroxy-1-phenylethylamino)-N-(2-methyl-2...) Show SMILES CC(C)(CNC(=O)c1cncc(N[C@@H](CO)c2ccccc2)n1)c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c1-23(2,18-11-7-4-8-12-18)16-25-22(29)19-13-24-14-21(26-19)27-20(15-28)17-9-5-3-6-10-17/h3-14,20,28H,15-16H2,1-2H3,(H,25,29)(H,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197257 (5-((1-(dimethylamino)propan-2-yl)(methyl)amino)-N-...) Show SMILES CC(CN(C)C)N(C)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1 |w:1.0| Show InChI InChI=1S/C21H31N5O/c1-16(14-25(4)5)26(6)19-13-22-18(12-23-19)20(27)24-15-21(2,3)17-10-8-7-9-11-17/h7-13,16H,14-15H2,1-6H3,(H,24,27)	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197251 (6-(butyl(methyl)amino)-N-cycloheptylpyrazine-2-car...) Show SMILES CCCCN(C)c1cncc(n1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C17H28N4O/c1-3-4-11-21(2)16-13-18-12-15(20-16)17(22)19-14-9-7-5-6-8-10-14/h12-14H,3-11H2,1-2H3,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357277 (CHEMBL1916505) Show SMILES CN(C)CCNc1cc(NCC2CC2)ncn1 Show InChI InChI=1S/C12H21N5/c1-17(2)6-5-13-11-7-12(16-9-15-11)14-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197264 (5-(4-(hydroxymethyl)piperidin-1-yl)-N-(2-methyl-2-...) Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCC(CO)CC1)c1ccccc1 Show InChI InChI=1S/C21H28N4O2/c1-21(2,17-6-4-3-5-7-17)15-24-20(27)18-12-23-19(13-22-18)25-10-8-16(14-26)9-11-25/h3-7,12-13,16,26H,8-11,14-15H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50179335 ((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...) Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197262 (CHEMBL246025 | N-(2-methyl-2-(pyridin-2-yl)propyl)...) Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccn1 Show InChI InChI=1S/C18H18N4O/c1-18(2,16-9-5-6-10-19-16)12-21-17(23)15-11-20-13-7-3-4-8-14(13)22-15/h3-11H,12H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197252 (CHEMBL247485 | N-(2,3-dihydro-1H-inden-2-yl)-6-(et...) Show SMILES CCN(C)c1cncc(n1)C(=O)NC1Cc2ccccc2C1 Show InChI InChI=1S/C17H20N4O/c1-3-21(2)16-11-18-10-15(20-16)17(22)19-14-8-12-6-4-5-7-13(12)9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197245 (CHEMBL393681 | N-(2-methyl-1-phenylpropan-2-yl)qui...) Show SMILES CC(C)(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C19H19N3O/c1-19(2,12-14-8-4-3-5-9-14)22-18(23)17-13-20-15-10-6-7-11-16(15)21-17/h3-11,13H,12H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197267 (6-((2-hydroxyethyl)(methyl)amino)-N-(2-methyl-2-ph...) Show SMILES CN(CCO)c1cncc(n1)C(=O)NCC(C)(C)c1ccccc1 Show InChI InChI=1S/C18H24N4O2/c1-18(2,14-7-5-4-6-8-14)13-20-17(24)15-11-19-12-16(21-15)22(3)9-10-23/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197253 (6-(3-hydroxyphenethylamino)-N-(cyclopropylmethyl)p...) Show SMILES Oc1cccc(CCNc2cncc(n2)C(=O)NCC2CC2)c1 Show InChI InChI=1S/C17H20N4O2/c22-14-3-1-2-12(8-14)6-7-19-16-11-18-10-15(21-16)17(23)20-9-13-4-5-13/h1-3,8,10-11,13,22H,4-7,9H2,(H,19,21)(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	44	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50179335 ((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...) Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50357273 (CHEMBL1916499) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197259 (6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethy...) Show SMILES O=C(NCC1CC1)c1cncc(n1)N1CCCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27N5O/c27-21(23-13-17-7-8-17)19-14-22-15-20(24-19)26-10-4-9-25(11-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,14-15,17H,4,7-13,16H2,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	56	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50357273 (CHEMBL1916499) Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r| Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197271 (CHEMBL245820 | N-phenethylquinoxaline-2-carboxamid...) Show SMILES O=C(NCCc1ccccc1)c1cnc2ccccc2n1 Show InChI InChI=1S/C17H15N3O/c21-17(18-11-10-13-6-2-1-3-7-13)16-12-19-14-8-4-5-9-15(14)20-16/h1-9,12H,10-11H2,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50356879 (CHEMBL1915535) Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1 Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50197273 ((3-phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone...) Show SMILES O=C(N1CCCC(C1)c1ccccc1)c1cnc2ccccc2n1 |w:6.8| Show InChI InChI=1S/C20H19N3O/c24-20(19-13-21-17-10-4-5-11-18(17)22-19)23-12-6-9-16(14-23)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	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 Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay				Bioorg Med Chem Lett 17: 486-90 (2007) Article DOI: 10.1016/j.bmcl.2006.10.015 BindingDB Entry DOI: 10.7270/Q2VX0G5Q
					More data for this Ligand-Target Pair

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