Compile Data Set for Download or QSAR

Found 520 hits with Last Name = 'roy' and Initial = 'd'   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433865 (CHEMBL2380402) Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433878 (CHEMBL2380389) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433880 (CHEMBL2380387) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433864 (CHEMBL2380403) Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433877 (CHEMBL2380390) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C34H44N4O5S2/c1-22(2)18-28(32(41)36-26(31(40)35-3)19-23-12-6-4-7-13-23)45-29-21-37(20-27(29)44)30(39)16-8-5-11-17-38-33(42)24-14-9-10-15-25(24)34(38)43/h4,6-7,9-10,12-15,22,26-29,44H,5,8,11,16-21H2,1-3H3,(H,35,40)(H,36,41)/t26-,27+,28+,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433871 (CHEMBL2380396) Show SMILES S[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433877 (CHEMBL2380390) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C34H44N4O5S2/c1-22(2)18-28(32(41)36-26(31(40)35-3)19-23-12-6-4-7-13-23)45-29-21-37(20-27(29)44)30(39)16-8-5-11-17-38-33(42)24-14-9-10-15-25(24)34(38)43/h4,6-7,9-10,12-15,22,26-29,44H,5,8,11,16-21H2,1-3H3,(H,35,40)(H,36,41)/t26-,27+,28+,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433868 (CHEMBL2380400) Show SMILES NC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19N3O4S2/c18-17(21)20-10-15(16(25)11-20)19-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,15-16,19,25H,10-11H2,(H2,18,21)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433878 (CHEMBL2380389) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433866 (CHEMBL2380314) Show SMILES S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C27H26N4O6S2/c32-25-21-8-4-5-9-22(21)26(33)31(25)15-14-28-27(34)30-16-23(24(38)17-30)29-39(35,36)20-12-10-19(11-13-20)37-18-6-2-1-3-7-18/h1-13,23-24,29,38H,14-17H2,(H,28,34)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433872 (CHEMBL2380395) Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433872 (CHEMBL2380395) Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433879 (CHEMBL2380388) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C30H36N4O5S2/c1-18(2)13-24(28(37)32-22(27(36)31-3)14-19-9-5-4-6-10-19)41-25-16-33(15-23(25)40)26(35)17-34-29(38)20-11-7-8-12-21(20)30(34)39/h4-12,18,22-25,40H,13-17H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433867 (CHEMBL2380401) Show SMILES CN([C@H]1CN(C[C@@H]1S)C(N)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C18H21N3O4S2/c1-20(16-11-21(18(19)22)12-17(16)26)27(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16-17,26H,11-12H2,1H3,(H2,19,22)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433875 (CHEMBL2380392) Show SMILES S[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433879 (CHEMBL2380388) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C30H36N4O5S2/c1-18(2)13-24(28(37)32-22(27(36)31-3)14-19-9-5-4-6-10-19)41-25-16-33(15-23(25)40)26(35)17-34-29(38)20-11-7-8-12-21(20)30(34)39/h4-12,18,22-25,40H,13-17H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433880 (CHEMBL2380387) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM63895 (7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo...) Show SMILES Fc1ccc(cc1)C(=O)Oc1cc(=O)oc2c3cccc4CCn(c34)c(=O)c12 Show InChI InChI=1S/C21H12FNO5/c22-13-6-4-12(5-7-13)21(26)27-15-10-16(24)28-19-14-3-1-2-11-8-9-23(18(11)14)20(25)17(15)19/h1-7,10H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	190	n/a	1.41E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92511 (JFD 03990, 7) Show SMILES O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C22H15NO3/c24-21-15-20(26-22(25)16-9-3-1-4-10-16)18-13-7-8-14-19(18)23(21)17-11-5-2-6-12-17/h1-15H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	230	n/a	1.55E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433881 (CHEMBL2380406) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S |r| Show InChI InChI=1S/C20H31N3O2S2/c1-13(2)9-17(27-18-12-22-11-16(18)26)20(25)23-15(19(24)21-3)10-14-7-5-4-6-8-14/h4-8,13,15-18,22,26H,9-12H2,1-3H3,(H,21,24)(H,23,25)/t15-,16+,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433881 (CHEMBL2380406) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S |r| Show InChI InChI=1S/C20H31N3O2S2/c1-13(2)9-17(27-18-12-22-11-16(18)26)20(25)23-15(19(24)21-3)10-14-7-5-4-6-8-14/h4-8,13,15-18,22,26H,9-12H2,1-3H3,(H,21,24)(H,23,25)/t15-,16+,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92518 (RJC 04082, 14) Show SMILES O=C(Oc1cc(=O)n2CCCc3cccc1c23)c1ccccc1 Show InChI InChI=1S/C19H15NO3/c21-17-12-16(23-19(22)14-6-2-1-3-7-14)15-10-4-8-13-9-5-11-20(17)18(13)15/h1-4,6-8,10,12H,5,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	450	n/a	3.02E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92515 (RDR 03785, 11) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	570	n/a	2.40E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	570	n/a	2.40E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92516 (RF 00032, 12) Show SMILES Cc1cc(C)c(C#N)c(OC(=O)c2cccs2)n1 Show InChI InChI=1S/C13H10N2O2S/c1-8-6-9(2)15-12(10(8)7-14)17-13(16)11-4-3-5-18-11/h3-6H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	740	n/a	3.47E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50240520 ((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...) Show SMILES S=C=NCc1ccccc1 Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	790	n/a	6.50E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92506 (BTB 09588, 1) Show SMILES [O-][N+](=O)c1ccc(ONC(=O)c2cccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C11H7N3O6S/c15-11(10-2-1-5-21-10)12-20-9-4-3-7(13(16)17)6-8(9)14(18)19/h1-6H,(H,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	860	n/a	2.45E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433873 (CHEMBL2380394) Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C17H19NO2S2/c19-22(20,18-16-7-4-8-17(16)21)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,21H,4,7-8H2/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM32847 ((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-c...) Show SMILES CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1 |c:6| Show InChI InChI=1S/C15H15ClO3/c1-15(2)8-12(17)7-13(9-15)19-14(18)10-3-5-11(16)6-4-10/h3-7H,8-9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	3.31E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92510 (JFD 03186, 6) Show SMILES Cc1ccc(cc1)C(=O)OC1=CC(=O)c2ccccc2C1=O |t:11| Show InChI InChI=1S/C18H12O4/c1-11-6-8-12(9-7-11)18(21)22-16-10-15(19)13-4-2-3-5-14(13)17(16)20/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	1.95E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92513 (ML 00144, 9) Show SMILES Oc1ccc(C=NNC(=O)NN=Cc2ccc(O)cc2)cc1 |w:5.4,11.10| Show InChI InChI=1S/C15H14N4O3/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	1.70E+4	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92508 (DP 00477, 3) Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=S)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.84E+3	n/a	3.31E+4	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92507 (DFP 00129, 2) Show SMILES [O-][N+](=O)c1cc(cs1)C(=O)NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C12H9ClN3O3S2/c13-8-3-1-2-4-9(8)14-12(20)15-11(17)7-5-10(16(18)19)21-6-7/h1-5H,6H2,(H2,14,15,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.47E+3	n/a	7.08E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92509 (HTS 11308, 4) Show SMILES CC(=O)N1CCSC1C(=O)NNC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C14H15N3O5S/c1-8(18)17-4-5-23-14(17)13(20)16-15-12(19)9-2-3-10-11(6-9)22-7-21-10/h2-3,6,14H,4-5,7H2,1H3,(H,15,19)(H,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.85E+3	n/a	4.57E+3	n/a	n/a	n/a	n/a	6.5	n/a
Ecole Polytechnique Fédérale de Lausanne					Assay Description The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...				J Biol Chem 285: 26581-98 (2010) Article DOI: 10.1074/jbc.M110.113951 BindingDB Entry DOI: 10.7270/Q2XD1083
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433865 (CHEMBL2380402) Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433874 (CHEMBL2380393) Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C11H15NO2S2/c13-16(14,9-5-2-1-3-6-9)12-10-7-4-8-11(10)15/h1-3,5-6,10-12,15H,4,7-8H2/t10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50433864 (CHEMBL2380403) Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair

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