Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'kilgore' and Initial = 'k'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50372652 (CHEMBL410029) Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50220087 (2-(3,5-dichlorophenyl)-7-methylpyrido[2,3-d]pyrimi...) Show SMILES Cc1ccc2cnc(nc2n1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H9Cl2N3/c1-8-2-3-9-7-17-13(19-14(9)18-8)10-4-11(15)6-12(16)5-10/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology				Bioorg Med Chem Lett 17: 5396-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.047 BindingDB Entry DOI: 10.7270/Q2JH3KWK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372652 (CHEMBL410029) Show SMILES COc1ccc(CC#Cc2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C26H20N2O4/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)28(17-27-24)16-20-5-10-21(11-6-20)26(30)31/h5-15,17H,3,16H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372636 (CHEMBL429584) Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215294 (2-(N-(6-chloro-7-methyl-2,3-dioxo-1,2,3,4-tetrahyd...) Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CC(O)=O)S(C)(=O)=O)c1Cl Show InChI InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50220096 (3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)b...) Show SMILES COc1cc(cc(c1)-c1ncc2ccc(C)nc2n1)C#N Show InChI InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology				Bioorg Med Chem Lett 17: 5396-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.047 BindingDB Entry DOI: 10.7270/Q2JH3KWK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372657 (CHEMBL273054) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372633 (CHEMBL270502) Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215284 (2-(N-(7-chloro-6-methyl-2,3-dioxo-1,2,3,4-tetrahyd...) Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(O)=O)S(C)(=O)=O Show InChI InChI=1S/C12H12ClN3O6S/c1-5-6(13)3-7-9(15-12(20)11(19)14-7)10(5)16(4-8(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215283 (2-(N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroqui...) Show SMILES CS(=O)(=O)N(CC(O)=O)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C11H9Cl2N3O6S/c1-23(21,22)16(3-6(17)18)9-7(13)4(12)2-5-8(9)15-11(20)10(19)14-5/h2H,3H2,1H3,(H,14,19)(H,15,20)(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372647 (CHEMBL272007) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372632 (CHEMBL273113) Show SMILES COc1cc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)ccn1 Show InChI InChI=1S/C23H19N5O5/c1-33-20-8-15(6-7-24-20)10-26-21(29)18-9-17-19(11-25-18)27-13-28(22(17)30)12-14-2-4-16(5-3-14)23(31)32/h2-9,11,13H,10,12H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215282 (CHEMBL429296 | N-(6-chloro-7-methyl-2,3-dioxo-1,2,...) Show SMILES Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCO)S(C)(=O)=O)c1Cl Show InChI InChI=1S/C12H14ClN3O5S/c1-6-5-7-9(15-12(19)11(18)14-7)10(8(6)13)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372639 (CHEMBL271997) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50220088 (3-methoxy-5-(pyrido[2,3-d]pyrimidin-2-yl)benzonitr...) Show SMILES COc1cc(cc(c1)-c1ncc2cccnc2n1)C#N Show InChI InChI=1S/C15H10N4O/c1-20-13-6-10(8-16)5-12(7-13)15-18-9-11-3-2-4-17-14(11)19-15/h2-7,9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology				Bioorg Med Chem Lett 17: 5396-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.047 BindingDB Entry DOI: 10.7270/Q2JH3KWK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372635 (CHEMBL272245) Show SMILES Oc1c(F)cc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1F Show InChI InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50224920 (3-methoxy-5-(2-methyl-1,6-naphthyridin-7-yl)benzon...) Show SMILES COc1cc(cc(c1)-c1cc2nc(C)ccc2cn1)C#N Show InChI InChI=1S/C17H13N3O/c1-11-3-4-13-10-19-16(8-17(13)20-11)14-5-12(9-18)6-15(7-14)21-2/h3-8,10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization				Bioorg Med Chem Lett 17: 6525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.083 BindingDB Entry DOI: 10.7270/Q2V40TXS
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372636 (CHEMBL429584) Show SMILES O=c1n(Cc2ccc(cc2)-c2nnn[nH]2)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H18N6O/c32-25-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-31(25)16-20-9-12-21(13-10-20)24-27-29-30-28-24/h1-3,5-6,9-15,17H,7,16H2,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234348 (4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...) Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372649 (CHEMBL408646) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCn2ccnc2)cc1 Show InChI InChI=1S/C22H16N4O3/c27-21-19-12-16(2-1-10-25-11-9-23-14-25)5-8-20(19)24-15-26(21)13-17-3-6-18(7-4-17)22(28)29/h3-9,11-12,14-15H,10,13H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215286 (CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215286 (CHEMBL399275 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C13H15Cl2N3O5S/c1-23-5-3-4-18(24(2,21)22)11-9(15)7(14)6-8-10(11)17-13(20)12(19)16-8/h6H,3-5H2,1-2H3,(H,16,19)(H,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372657 (CHEMBL273054) Show SMILES OC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H18N2O3/c28-24-22-15-19(8-4-7-18-5-2-1-3-6-18)11-14-23(22)26-17-27(24)16-20-9-12-21(13-10-20)25(29)30/h1-3,5-6,9-15,17H,7,16H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372641 (CHEMBL409111) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372633 (CHEMBL270502) Show SMILES COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(cc4)C(O)=O)c(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O5/c1-33-20-9-4-16(5-10-20)13-26-23(29)19-8-11-22-21(12-19)24(30)28(15-27-22)14-17-2-6-18(7-3-17)25(31)32/h2-12,15H,13-14H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215281 (CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372640 (CHEMBL429596) Show SMILES CSc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215287 (CHEMBL247035 | N-(3-methoxybenzyl)-N-(6,7-dichloro...) Show SMILES COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1 Show InChI InChI=1S/C17H15Cl2N3O5S/c1-27-10-5-3-4-9(6-10)8-22(28(2,25)26)15-13(19)11(18)7-12-14(15)21-17(24)16(23)20-12/h3-7H,8H2,1-2H3,(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372629 (CHEMBL272246) Show SMILES NC(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C25H19N3O2/c26-24(29)21-12-9-20(10-13-21)16-28-17-27-23-14-11-19(15-22(23)25(28)30)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372643 (CHEMBL429247) Show SMILES COc1cccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-4-2-3-16(9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-15-5-7-17(8-6-15)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372656 (CHEMBL271148) Show SMILES NS(=O)(=O)c1ccc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1 Show InChI InChI=1S/C24H19N3O3S/c25-31(29,30)21-12-9-20(10-13-21)16-27-17-26-23-14-11-19(15-22(23)24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2,(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215296 (CHEMBL401849 | N-(7-chloro-6-methyl-2,3-dioxo-1,2,...) Show SMILES Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CCO)S(C)(=O)=O Show InChI InChI=1S/C12H14ClN3O5S/c1-6-7(13)5-8-9(15-12(19)11(18)14-8)10(6)16(3-4-17)22(2,20)21/h5,17H,3-4H2,1-2H3,(H,14,18)(H,15,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372646 (CHEMBL272008) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(F)c2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372635 (CHEMBL272245) Show SMILES Oc1c(F)cc(Cn2cnc3ccc(cc3c2=O)C#CCc2ccccc2)cc1F Show InChI InChI=1S/C24H16F2N2O2/c25-20-12-18(13-21(26)23(20)29)14-28-15-27-22-10-9-17(11-19(22)24(28)30)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,29H,7,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372632 (CHEMBL273113) Show SMILES COc1cc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)ccn1 Show InChI InChI=1S/C23H19N5O5/c1-33-20-8-15(6-7-24-20)10-26-21(29)18-9-17-19(11-25-18)27-13-28(22(17)30)12-14-2-4-16(5-3-14)23(31)32/h2-9,11,13H,10,12H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215285 (CHEMBL400508 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES CCOCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C14H17Cl2N3O5S/c1-3-24-6-4-5-19(25(2,22)23)12-10(16)8(15)7-9-11(12)18-14(21)13(20)17-9/h7H,3-6H2,1-2H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372631 (CHEMBL406919) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4O4/c28-21(25-11-15-4-2-1-3-5-15)19-10-18-20(12-24-19)26-14-27(22(18)29)13-16-6-8-17(9-7-16)23(30)31/h1-10,12,14H,11,13H2,(H,25,28)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215276 (CHEMBL399519 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C13H12Cl2F3N3O4S/c1-2-26(24,25)21(4-3-13(16,17)18)10-8(15)6(14)5-7-9(10)20-12(23)11(22)19-7/h5H,2-4H2,1H3,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372647 (CHEMBL272007) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215281 (CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215281 (CHEMBL248443 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 Show InChI InChI=1S/C12H10Cl2F3N3O4S/c1-25(23,24)20(3-2-12(15,16)17)9-7(14)5(13)4-6-8(9)19-11(22)10(21)18-6/h4H,2-3H2,1H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234334 (BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIA...) Show SMILES O=C(OCc1ccccc1)c1cn2c(cc(=O)n(Cc3ccccc3)c2=O)s1 Show InChI InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50372630 (CHEMBL271535) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-3-1-2-15(8-17)10-29-21(32)19-9-18-20(11-28-19)30-13-31(22(18)33)12-14-4-6-16(7-5-14)23(34)35/h1-9,11,13H,10,12H2,(H,29,32)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372641 (CHEMBL409111) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H17ClN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50234348 (4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d...) Show SMILES COc1ccc(CNC(=O)c2cc3c(cn2)ncn(Cc2ccc(cc2)C(O)=O)c3=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-33-18-8-4-15(5-9-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-2-6-17(7-3-16)24(31)32/h2-10,12,14H,11,13H2,1H3,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372637 (CHEMBL272261) Show SMILES COc1cccc(CNC(=O)c2cc3c(cc2F)ncn(Cc2ccc(cc2)C(O)=O)c3=O)c1 Show InChI InChI=1S/C25H20FN3O5/c1-34-18-4-2-3-16(9-18)12-27-23(30)19-10-20-22(11-21(19)26)28-14-29(24(20)31)13-15-5-7-17(8-6-15)25(32)33/h2-11,14H,12-13H2,1H3,(H,27,30)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372655 (CHEMBL407090) Show SMILES O=c1n(Cc2ccc(cc2)C#N)cnc2ccc(cc12)C#CCc1ccccc1 Show InChI InChI=1S/C25H17N3O/c26-16-21-9-11-22(12-10-21)17-28-18-27-24-14-13-20(15-23(24)25(28)29)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-15,18H,7,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50372639 (CHEMBL271997) Show SMILES OC(=O)c1ccc(Cn2cnc3cnc(cc3c2=O)C(=O)NCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-14(4-8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-15-1-5-16(6-2-15)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP13				J Med Chem 51: 835-41 (2008) Article DOI: 10.1021/jm701274v BindingDB Entry DOI: 10.7270/Q2J38TDZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50220085 (2-(3-bromophenyl)-7-methylpyrido[2,3-d]pyrimidine ...) Show SMILES Cc1ccc2cnc(nc2n1)-c1cccc(Br)c1 Show InChI InChI=1S/C14H10BrN3/c1-9-5-6-11-8-16-13(18-14(11)17-9)10-3-2-4-12(15)7-10/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology				Bioorg Med Chem Lett 17: 5396-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.047 BindingDB Entry DOI: 10.7270/Q2JH3KWK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (Homo sapiens (Human))	BDBM50215279 (CHEMBL248439 | N-(6,7-dichloro-2,3-dioxo-1,2,3,4-t...) Show SMILES COCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O Show InChI InChI=1S/C12H13Cl2N3O5S/c1-22-4-3-17(23(2,20)21)10-8(14)6(13)5-7-9(10)16-12(19)11(18)15-7/h5H,3-4H2,1-2H3,(H,15,18)(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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 human NMDA NR1 receptor				Bioorg Med Chem Lett 17: 4599-603 (2007) Article DOI: 10.1016/j.bmcl.2007.05.083 BindingDB Entry DOI: 10.7270/Q2QR4WTR
					More data for this Ligand-Target Pair

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