Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'dack' 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
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50448785 (CHEMBL3128069) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay				J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430025 (4-(4′-Ethanesulfonyl-6-fluoro-2′-metho...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-22-19(13-25-27)18(12-24-26-22)14-6-9-20(23)17(10-14)16-8-7-15(11-21(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430027 (5-[5-(1-Ethyl-1H-pyrazolo[3,4-c]pyridazin-4-yl)-2-...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-22-19(11-26-29)18(10-25-27-22)13-5-6-20(24)16(7-13)17-8-14-12-28(2)23(30)15(14)9-21(17)31-3/h5-11H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM430026 (4-(4′-Ethanesulfonyl-6-fluorobiphenyl-3-yl)-...) Show SMILES CCn1ncc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(=O)(=O)CC Show InChI InChI=1S/C21H19FN4O2S/c1-3-26-21-19(13-24-26)18(12-23-25-21)15-7-10-20(22)17(11-15)14-5-8-16(9-6-14)29(27,28)4-2/h5-13H,3-4H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER LIMITED US Patent					Assay Description The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Per...				US Patent US10538523 (2020) BindingDB Entry DOI: 10.7270/Q2RB771W
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383690 (CHEMBL2030120) Show SMILES OC(=O)COc1ccccc1COc1ccc(Cl)cc1-c1ccno1 Show InChI InChI=1S/C18H14ClNO5/c19-13-5-6-16(14(9-13)17-7-8-20-25-17)23-10-12-3-1-2-4-15(12)24-11-18(21)22/h1-9H,10-11H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	247	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220046 (CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...) Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31 Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383691 (CHEMBL2030121) Show SMILES CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(O)=O Show InChI InChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	333	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383692 (CHEMBL2030122) Show SMILES Cc1ccc2cccc(OCc3ccccc3OCC(O)=O)c2n1 Show InChI InChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	492	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383693 (CHEMBL2030123) Show SMILES Cc1ccc(Cl)cc1OCc1ccccc1OCC(O)=O Show InChI InChI=1S/C16H15ClO4/c1-11-6-7-13(17)8-15(11)20-9-12-4-2-3-5-14(12)21-10-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	520	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220045 (CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...) Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31 Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383685 (CHEMBL2030115) Show SMILES CCc1nn(Cc2cccc(Br)c2)c(CC)c1CC(O)=O Show InChI InChI=1S/C16H19BrN2O2/c1-3-14-13(9-16(20)21)15(4-2)19(18-14)10-11-6-5-7-12(17)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	563	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383686 (CHEMBL2030116) Show SMILES CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(O)=O Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	574	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383694 (CHEMBL2030124) Show SMILES OC(=O)COc1ccccc1COc1ccc(F)cc1C1CC1 Show InChI InChI=1S/C18H17FO4/c19-14-7-8-17(15(9-14)12-5-6-12)22-10-13-3-1-2-4-16(13)23-11-18(20)21/h1-4,7-9,12H,5-6,10-11H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	591	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383687 (CHEMBL2030117) Show SMILES CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(O)=O Show InChI InChI=1S/C16H18Cl2N2O2/c1-3-14-12(8-16(21)22)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)18/h5-7H,3-4,8-9H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	623	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383688 (CHEMBL2030118) Show SMILES CCc1nn(CC(O)=O)c(CC)c1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(19(4-2)22(21-18)13-20(23)24)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	631	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50383689 (CHEMBL2030119) Show SMILES OC(=O)Cn1cnc2CN(CCc12)C(=O)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	752	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]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 22: 3682-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.041 BindingDB Entry DOI: 10.7270/Q27W6D74
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50475690 (4,4''-Diallylcaracurinium V Dibromide | Diallylcar...) Show SMILES [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:27| Show InChI InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48;;/h3-14,29-30,35-42H,1-2,15-26H2;2*1H/q+2;;/p-2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50475689 (4,4''-Dimethylcaracurinium V Dichloride | Dimethyl...) Show SMILES [Cl-].[Cl-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:25| Show InChI InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44;;/h3-12,25-26,31-38H,13-22H2,1-2H3;2*1H/q+2;;/p-2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43?,44?;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50220060 ((14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-...) Show SMILES CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31 Show InChI InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50025037 (CHEBI:3382 | Caracurine V) Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24| Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer				Bioorg Med Chem Lett 16: 1481-5 (2006) Article DOI: 10.1016/j.bmcl.2005.12.030 BindingDB Entry DOI: 10.7270/Q2D50QQ5
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344193 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344195 ((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227724 (CHEMBL400083 | N-hydroxy-2-methyl-2-{4-[2-methyl-3...) Show SMILES CNCCOc1cccc(c1)-c1ccc(cc1C)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C25H35N3O5S/c1-18-16-20(8-9-23(18)21-6-5-7-22(17-21)33-15-12-26-4)19-10-13-28(14-11-19)34(31,32)25(2,3)24(29)27-30/h5-9,16-17,19,26,30H,10-15H2,1-4H3,(H,27,29)	PDB MMDB 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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227723 (2-{4-[3'-(2-amino-ethoxy)-2-methyl-biphenyl-4-yl]-...) Show SMILES Cc1cc(ccc1-c1cccc(OCCN)c1)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C24H33N3O5S/c1-17-15-19(7-8-22(17)20-5-4-6-21(16-20)32-14-11-25)18-9-12-27(13-10-18)33(30,31)24(2,3)23(28)26-29/h4-8,15-16,18,29H,9-14,25H2,1-3H3,(H,26,28)	PDB MMDB 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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50354912 (CHEMBL1837039) Show SMILES CN(C)S(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H26ClN7O2S/c1-27(2)33(31,32)29-14-17-13-18(23)6-7-19(17)30-21(15-29)25-26-22(30)16-8-11-28(12-9-16)20-5-3-4-10-24-20/h3-7,10,13,16H,8-9,11-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...				Bioorg Med Chem Lett 21: 5684-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108204 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-ethoxy-4-methyl-be...) Show SMILES CCOc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O7S/c1-4-36-24-11-16(2)5-10-25(24)39(34,35)30-28(33)26(17-7-9-22-23(13-17)38-15-37-22)20-14-31(3)21-12-18(27(29)32)6-8-19(20)21/h5-14,26H,4,15H2,1-3H3,(H2,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344191 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50085452 ((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108202 ((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...) Show SMILES COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1 Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448785 (CHEMBL3128069) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA				J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227725 (2-{4-[3'-(2-dimethylamino-ethoxy)-2-methyl-bipheny...) Show SMILES CN(C)CCOc1cccc(c1)-c1ccc(cc1C)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C26H37N3O5S/c1-19-17-21(9-10-24(19)22-7-6-8-23(18-22)34-16-15-28(4)5)20-11-13-29(14-12-20)35(32,33)26(2,3)25(30)27-31/h6-10,17-18,20,31H,11-16H2,1-5H3,(H,27,30)	PDB MMDB 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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227709 (CHEMBL251917 | N-hydroxy-2-(4-(4-(6-(2-hydroxyetho...) Show SMILES Cc1cc(ccc1-c1cccc(OCCO)n1)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C23H31N3O6S/c1-16-15-18(7-8-19(16)20-5-4-6-21(24-20)32-14-13-27)17-9-11-26(12-10-17)33(30,31)23(2,3)22(28)25-29/h4-8,15,17,27,29H,9-14H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	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 Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227722 (CHEMBL398641 | N-hydroxy-2-{4-[3'-(2-hydroxy-ethox...) Show SMILES Cc1cc(ccc1-c1cccc(OCCO)c1)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C24H32N2O6S/c1-17-15-19(7-8-22(17)20-5-4-6-21(16-20)32-14-13-27)18-9-11-26(12-10-18)33(30,31)24(2,3)23(28)25-29/h4-8,15-16,18,27,29H,9-14H2,1-3H3,(H,25,28)	PDB MMDB 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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50560311 (CHEMBL4756197) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(cc1)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127402 BindingDB Entry DOI: 10.7270/Q26D5XPN
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108192 (3-[1-Benzo[1,3]dioxol-5-yl-2-(2-methoxy-4-methyl-b...) Show SMILES COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C27H25N3O7S/c1-15-4-9-24(23(10-15)35-3)38(33,34)29-27(32)25(16-6-8-21-22(12-16)37-14-36-21)19-13-30(2)20-11-17(26(28)31)5-7-18(19)20/h4-13,25H,14H2,1-3H3,(H2,28,31)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50354897 (CHEMBL1837041) Show SMILES CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C21H23ClN6O2S/c1-31(29,30)27-13-16-12-17(22)5-6-18(16)28-20(14-27)24-25-21(28)15-7-10-26(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...				Bioorg Med Chem Lett 21: 5684-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344187 ((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...) Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108194 (3-[1-Benzo[1,3]dioxol-5-yl-2-oxo-2-(toluene-4-sulf...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H23N3O6S/c1-15-3-7-18(8-4-15)36(32,33)28-26(31)24(16-6-10-22-23(12-16)35-14-34-22)20-13-29(2)21-11-17(25(27)30)5-9-19(20)21/h3-13,24H,14H2,1-2H3,(H2,27,30)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344197 ((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50560313 (CHEMBL4762028) Show SMILES C[C@H](NC(=O)[C@H]1CCCO1)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(cc1)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127402 BindingDB Entry DOI: 10.7270/Q26D5XPN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50560315 (CHEMBL4763360) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127402 BindingDB Entry DOI: 10.7270/Q26D5XPN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50560326 (CHEMBL4758563) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(C)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127402 BindingDB Entry DOI: 10.7270/Q26D5XPN
					More data for this Ligand-Target Pair
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448785 (CHEMBL3128069) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of LTK (unknown origin) using Km levels of ATP				J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227711 (2-[4-(3'-ethoxy-2-methyl-biphenyl-4-yl)-piperidine...) Show SMILES CCOc1cccc(c1)-c1ccc(cc1C)C1CCN(CC1)S(=O)(=O)C(C)(C)C(=O)NO Show InChI InChI=1S/C24H32N2O5S/c1-5-31-21-8-6-7-20(16-21)22-10-9-19(15-17(22)2)18-11-13-26(14-12-18)32(29,30)24(3,4)23(27)25-28/h6-10,15-16,18,28H,5,11-14H2,1-4H3,(H,25,27)	PDB MMDB 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	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fer (Homo sapiens (Human))	BDBM50448785 (CHEMBL3128069) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of FER (unknown origin) using Km levels of ATP				J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50108187 (3-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenes...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H27N3O6S/c1-16(2)17-4-8-20(9-5-17)38(34,35)30-28(33)26(18-7-11-24-25(13-18)37-15-36-24)22-14-31(3)23-12-19(27(29)32)6-10-21(22)23/h4-14,16,26H,15H2,1-3H3,(H2,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536209 (CHEMBL4539949) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1 Show InChI InChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536217 (CHEMBL4517645) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(C)C)c2cn[nH]c2c1 Show InChI InChI=1S/C18H20FN3O3S/c1-4-11-7-18(23)15(19)8-13(11)12-5-16-14(9-20-21-16)17(6-12)22-26(24,25)10(2)3/h5-10,22-23H,4H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair

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