Compile Data Set for Download or QSAR

Found 409 hits with Last Name = 'robinson' and Initial = 'l'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4696 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C34H47N3O11S/c1-34(2,14-7-8-15-35-32(39)43-3)21-37(49(41,42)24-11-12-28-29(18-24)47-22-46-28)19-27(38)26(17-23-9-5-4-6-10-23)36-33(40)48-30-20-45-31-25(30)13-16-44-31/h4-6,9-12,18,25-27,30-31,38H,7-8,13-17,19-22H2,1-3H3,(H,35,39)(H,36,40)/t25-,26-,27+,30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0000140	-80.4	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4699 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H46N4O10S/c1-33(2,13-7-14-35-31(39)34-3)20-37(48(41,42)23-10-11-27-28(17-23)46-21-45-27)18-26(38)25(16-22-8-5-4-6-9-22)36-32(40)47-29-19-44-30-24(29)12-15-43-30/h4-6,8-11,17,24-26,29-30,38H,7,12-16,18-21H2,1-3H3,(H,36,40)(H2,34,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0000480	-77.3	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4698 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O10S/c1-22(37)34-14-7-13-33(2,3)20-36(47(40,41)24-10-11-28-29(17-24)45-21-44-28)18-27(38)26(16-23-8-5-4-6-9-23)35-32(39)46-30-19-43-31-25(30)12-15-42-31/h4-6,8-11,17,25-27,30-31,38H,7,12-16,18-21H2,1-3H3,(H,34,37)(H,35,39)/t25-,26-,27+,30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0000540	-77.0	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4700 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNS(C)(=O)=O)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C32H45N3O11S2/c1-32(2,13-7-14-33-47(3,38)39)20-35(48(40,41)23-10-11-27-28(17-23)45-21-44-27)18-26(36)25(16-22-8-5-4-6-9-22)34-31(37)46-29-19-43-30-24(29)12-15-42-30/h4-6,8-11,17,24-26,29-30,33,36H,7,12-16,18-21H2,1-3H3,(H,34,37)/t24-,25-,26+,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0000580	-76.8	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4691 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCN)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H43N3O9S/c1-31(2,12-6-13-32)19-34(44(37,38)22-9-10-26-27(16-22)42-20-41-26)17-25(35)24(15-21-7-4-3-5-8-21)33-30(36)43-28-18-40-29-23(28)11-14-39-29/h3-5,7-10,16,23-25,28-29,35H,6,11-15,17-20,32H2,1-2H3,(H,33,36)/t23-,24-,25+,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0000610	-76.7	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4697 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C35H49N3O11S/c1-35(2,15-8-5-9-16-36-33(40)44-3)22-38(50(42,43)25-12-13-29-30(19-25)48-23-47-29)20-28(39)27(18-24-10-6-4-7-11-24)37-34(41)49-31-21-46-32-26(31)14-17-45-32/h4,6-7,10-13,19,26-28,31-32,39H,5,8-9,14-18,20-23H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28+,31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000120	-75.0	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4695 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C32H43N3O11S/c1-32(2,12-13-33-30(37)41-3)19-35(47(39,40)22-9-10-26-27(16-22)45-20-44-26)17-25(36)24(15-21-7-5-4-6-8-21)34-31(38)46-28-18-43-29-23(28)11-14-42-29/h4-10,16,23-25,28-29,36H,11-15,17-20H2,1-3H3,(H,33,37)(H,34,38)/t23-,24-,25+,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000160	-74.3	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4693 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C32H46N4O9S/c1-32(2,14-8-15-34-30(38)42-3)21-36(46(40,41)24-12-7-11-23(33)18-24)19-27(37)26(17-22-9-5-4-6-10-22)35-31(39)45-28-20-44-29-25(28)13-16-43-29/h4-7,9-12,18,25-29,37H,8,13-17,19-21,33H2,1-3H3,(H,34,38)(H,35,39)/t25-,26-,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000210	-73.6	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4692 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C32H46N4O9S/c1-32(2,15-7-16-34-30(38)42-3)21-36(46(40,41)24-12-10-23(33)11-13-24)19-27(37)26(18-22-8-5-4-6-9-22)35-31(39)45-28-20-44-29-25(28)14-17-43-29/h4-6,8-13,25-29,37H,7,14-21,33H2,1-3H3,(H,34,38)(H,35,39)/t25-,26-,27+,28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000260	-73.0	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4694 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H45N3O11S/c1-33(2,13-7-14-34-31(38)42-3)20-36(48(40,41)23-10-11-27-28(17-23)46-21-45-27)18-26(37)25(16-22-8-5-4-6-9-22)35-32(39)47-29-19-44-30-24(29)12-15-43-30/h4-6,8-11,17,24-26,29-30,37H,7,12-16,18-21H2,1-3H3,(H,34,38)(H,35,39)/t24-,25-,26+,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.000520	-71.3	n/a	n/a	n/a	n/a	n/a	5.5	30
GlaxoSmithKline					Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...				Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50366495 ((+)butaclamol | CHEMBL1255588) Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50437440 (CHEMBL2409219) Show SMILES COc1cc([C@@H]2Nc3ccc(cc3[C@@H]3[C@H]2Cc2ccccc32)C(N)=N)c(cc1O)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)19-8-4-5-9-20(19)31(36)37)29-24-12-16-6-2-3-7-18(16)28(24)23-13-17(30(32)33)10-11-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human coagulation factor 7A				Bioorg Med Chem Lett 23: 2432-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.013 BindingDB Entry DOI: 10.7270/Q2R78GN6
					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	0.710	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50437438 (CHEMBL2409314) Show SMILES COc1cc([C@@H]2Nc3ccc(cc3[C@@H]3[C@H]2Cc2ccccc32)C(N)=N)c(cc1O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)16-6-8-17(9-7-16)31(36)37)29-24-12-18-4-2-3-5-20(18)28(24)23-13-19(30(32)33)10-11-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human coagulation factor 7A				Bioorg Med Chem Lett 23: 2432-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.013 BindingDB Entry DOI: 10.7270/Q2R78GN6
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007692 (8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048806 (5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 Show InChI InChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048807 (5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 Show InChI InChI=1S/C23H26N4OS/c1-23(2)18-15-16(7-8-19(18)24-22(23)28)9-10-26-11-13-27(14-12-26)21-17-5-3-4-6-20(17)29-25-21/h3-8,15H,9-14H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					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	3.70	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048804 (5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc2N1 Show InChI InChI=1S/C21H22N4OS/c26-20-14-16-13-15(5-6-18(16)22-20)7-8-24-9-11-25(12-10-24)21-17-3-1-2-4-19(17)27-23-21/h1-6,13H,7-12,14H2,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048802 (5'-[2-(4-benzo[d]isothiazol-3-ylhexahydro-1-pyrazi...) Show SMILES O=C1Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2C11CCCC1 Show InChI InChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048805 (5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES Fc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21FN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048803 (5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...) Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048800 (6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2s1 Show InChI InChI=1S/C20H20N4OS2/c25-20-21-16-6-5-14(13-18(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-17(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.10	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130099 (4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H34N4O10S/c1-3-39-27(34)30-14-12-29(13-15-30)25(32)11-9-22(26(33)28-35)31(17-19-4-10-23-24(16-19)41-18-40-23)42(36,37)21-7-5-20(38-2)6-8-21/h4-8,10,16,22,35H,3,9,11-15,17-18H2,1-2H3,(H,28,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50048801 (6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...) Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2o1 Show InChI InChI=1S/C20H20N4O2S/c25-20-21-16-6-5-14(13-17(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-18(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6.30	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]-NPA from rat brain Dopamine receptor D2				J Med Chem 39: 143-8 (1996) Article DOI: 10.1021/jm950625l BindingDB Entry DOI: 10.7270/Q2ZG6RB0
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026964 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-11H-benz...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15| Show InChI InChI=1S/C19H19BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- apomorphine radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026968 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-11H-ben...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15| Show InChI InChI=1S/C19H19ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- apomorphine radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50129204 (CHEMBL65208 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-((...) Show SMILES COC(=O)c1ccc(cc1)C(=O)NC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C27H27N3O10S/c1-37-20-8-10-21(11-9-20)41(35,36)30(15-17-3-12-23-24(13-17)40-16-39-23)22(26(32)29-34)14-28-25(31)18-4-6-19(7-5-18)27(33)38-2/h3-13,22,34H,14-16H2,1-2H3,(H,28,31)(H,29,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate				Bioorg Med Chem Lett 13: 2101-4 (2003) BindingDB Entry DOI: 10.7270/Q2TD9WQS
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026964 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-11H-benz...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15| Show InChI InChI=1S/C19H19BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026974 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-6,11-dih...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12 Show InChI InChI=1S/C19H21BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- apomorphine radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026968 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-11H-ben...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15| Show InChI InChI=1S/C19H19ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026974 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-6,11-dih...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12 Show InChI InChI=1S/C19H21BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50129206 (CHEMBL292073 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)c1ccccc1-n1cccc1)C(=O)NO Show InChI InChI=1S/C29H28N4O8S/c1-39-21-9-11-22(12-10-21)42(37,38)33(18-20-8-13-26-27(16-20)41-19-40-26)25(29(35)31-36)17-30-28(34)23-6-2-3-7-24(23)32-14-4-5-15-32/h2-16,25,36H,17-19H2,1H3,(H,30,34)(H,31,35)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate				Bioorg Med Chem Lett 13: 2101-4 (2003) BindingDB Entry DOI: 10.7270/Q2TD9WQS
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50437439 (CHEMBL2409220) Show SMILES COc1cc([C@@H]2Nc3ccc(cc3[C@@H]3[C@H]2Cc2ccccc32)C(N)=N)c(cc1O)-c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)16-6-4-7-19(11-16)31(36)37)29-24-12-17-5-2-3-8-20(17)28(24)23-13-18(30(32)33)9-10-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human coagulation factor 7A				Bioorg Med Chem Lett 23: 2432-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.013 BindingDB Entry DOI: 10.7270/Q2R78GN6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026970 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-6,11-di...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Cl)cc-12 Show InChI InChI=1S/C19H21ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026964 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-11H-benz...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15| Show InChI InChI=1S/C19H19BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50130108 ((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO Show InChI InChI=1S/C26H32N4O9S/c1-18(31)28-11-13-29(14-12-28)25(32)10-8-22(26(33)27-34)30(16-19-3-9-23-24(15-19)39-17-38-23)40(35,36)21-6-4-20(37-2)5-7-21/h3-7,9,15,22,34H,8,10-14,16-17H2,1-2H3,(H,27,33)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Inhibition of MMP-8				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50130114 ((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C33H33N3O8S/c1-42-27-12-14-28(15-13-27)45(40,41)36(21-24-9-17-30-31(19-24)44-22-43-30)29(33(38)35-39)16-18-32(37)34-20-23-7-10-26(11-8-23)25-5-3-2-4-6-25/h2-15,17,19,29,39H,16,18,20-22H2,1H3,(H,34,37)(H,35,38)/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro				Bioorg Med Chem Lett 13: 2381-4 (2003) BindingDB Entry DOI: 10.7270/Q26H4GS8
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026974 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-6,11-dih...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12 Show InChI InChI=1S/C19H21BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026970 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-6,11-di...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Cl)cc-12 Show InChI InChI=1S/C19H21ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- apomorphine radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026968 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-11H-ben...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15| Show InChI InChI=1S/C19H19ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026971 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15| Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026973 (11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 Show InChI InChI=1S/C20H21F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026967 (11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 |c:15| Show InChI InChI=1S/C20H19F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026972 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccccc-12 |c:15| Show InChI InChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Bone morphogenetic protein 1 (Homo sapiens (Human))	BDBM50129212 (CHEMBL294742 | N-{2-[Benzo[1,3]dioxol-5-ylmethyl-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C25H25N3O8S/c1-34-19-8-10-20(11-9-19)37(32,33)28(15-17-7-12-22-23(13-17)36-16-35-22)21(25(30)27-31)14-26-24(29)18-5-3-2-4-6-18/h2-13,21,31H,14-16H2,1H3,(H,26,29)(H,27,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate				Bioorg Med Chem Lett 13: 2101-4 (2003) BindingDB Entry DOI: 10.7270/Q2TD9WQS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)	BDBM50026963 (11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]-[#6]-c2ccc(cc-12)C#N Show InChI InChI=1S/C20H21N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,9,13H,6-8,10-12H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50026972 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccccc-12 |c:15| Show InChI InChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair

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