Compile Data Set for Download or QSAR

Found 9820 hits with Last Name = 'yen' and Initial = 'h'   

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 4 (Homo sapiens (Human))	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Laboratory AS Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5-HT4B receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 64: 629-37 (2013) Article DOI: 10.1016/j.ejmech.2013.03.060 BindingDB Entry DOI: 10.7270/Q27947NT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256265 (CHEMBL4089486) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C74H104N20O19S3/c1-36(2)18-49-64(103)88-51(24-44-27-78-35-81-44)66(105)85-48(13-14-59(75)97)63(102)89-52(25-60(98)99)67(106)86-50(19-37(3)4)65(104)93-57(73(112)113)34-116-31-42-21-40-20-41(22-42)30-115-33-56(70(109)87-49)92-62(101)47(12-9-16-79-74(76)77)84-61(100)38(5)82-71(110)58-15-17-94(58)72(111)53(23-43-26-80-46-11-8-7-10-45(43)46)90-68(107)54(28-95)91-69(108)55(32-114-29-40)83-39(6)96/h7-8,10-11,20-22,26-27,35-38,47-58,80,95H,9,12-19,23-25,28-34H2,1-6H3,(H2,75,97)(H,78,81)(H,82,110)(H,83,96)(H,84,100)(H,85,105)(H,86,106)(H,87,109)(H,88,103)(H,89,102)(H,90,107)(H,91,108)(H,92,101)(H,93,104)(H,98,99)(H,112,113)(H4,76,77,79)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230846 (CHEMBL2114071) Show SMILES CN1C(=O)N2C(CN3CCN(CC3)c3ccccc3Cl)CN=C2c2ccccc12 |c:23| Show InChI InChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-14-16(28(21)22(25)29)15-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230859 (CHEMBL309150) Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3OC)CN12 |t:2,11| Show InChI InChI=1S/C23H27N5O2/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)15-17-16-28-22(24-17)18-7-3-4-8-19(18)25-23(28)30-2/h3-10,17H,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256283 (CHEMBL4079711) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C79H114N22O20S3/c1-38(2)20-52-68(110)94-54(26-47-29-84-37-87-47)70(112)91-51(16-17-62(81)103)67(109)95-55(27-63(104)105)71(113)92-53(21-39(3)4)69(111)100-58(73(115)89-42(7)78(120)121)34-122-31-43-22-44-24-45(23-43)33-124-36-60(74(116)93-52)99-66(108)50(14-10-18-85-79(82)83)90-65(107)41(6)88-76(118)61-15-11-19-101(61)77(119)56(25-46-28-86-49-13-9-8-12-48(46)49)96-72(114)57(30-102)97-75(117)59(35-123-32-44)98-64(106)40(5)80/h8-9,12-13,22-24,28-29,37-42,50-61,86,102H,10-11,14-21,25-27,30-36,80H2,1-7H3,(H2,81,103)(H,84,87)(H,88,118)(H,89,115)(H,90,107)(H,91,112)(H,92,113)(H,93,116)(H,94,110)(H,95,109)(H,96,114)(H,97,117)(H,98,106)(H,99,108)(H,100,111)(H,104,105)(H,120,121)(H4,82,83,85)/t40-,41-,42-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM466723 (US10800761, Example 42 | US10800761, Example 55 | ...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r| Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of human carbonic anhydrase II (0.1 nM).				Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM85026 (N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...) Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Laboratory AS Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5-HT4B receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 64: 629-37 (2013) Article DOI: 10.1016/j.ejmech.2013.03.060 BindingDB Entry DOI: 10.7270/Q27947NT
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230848 (CHEMBL70872) Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12 |t:2,11| Show InChI InChI=1S/C22H24ClN5O/c1-29-22-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50492064 (CHEMBL2391994) Show SMILES CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C29H34N2O5/c1-29(2,28(33)34)22-10-8-20(9-11-22)18-30-15-12-21(13-16-30)19-36-27(32)25-23-6-3-4-7-24(23)31-14-5-17-35-26(25)31/h3-4,6-11,21H,5,12-19H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Laboratory AS Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5-HT4B receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 64: 629-37 (2013) Article DOI: 10.1016/j.ejmech.2013.03.060 BindingDB Entry DOI: 10.7270/Q27947NT
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256264 (CHEMBL4099333) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C75H106N20O19S3/c1-37(2)19-50-65(104)89-52(25-45-28-79-36-82-45)67(106)86-49(14-15-60(76)98)64(103)90-53(26-61(99)100)68(107)87-51(20-38(3)4)66(105)94-58(74(113)114)35-117-32-43-22-41-21-42(23-43)31-116-34-57(71(110)88-50)93-63(102)48(13-9-10-17-80-75(77)78)85-62(101)39(5)83-72(111)59-16-18-95(59)73(112)54(24-44-27-81-47-12-8-7-11-46(44)47)91-69(108)55(29-96)92-70(109)56(33-115-30-41)84-40(6)97/h7-8,11-12,21-23,27-28,36-39,48-59,81,96H,9-10,13-20,24-26,29-35H2,1-6H3,(H2,76,98)(H,79,82)(H,83,111)(H,84,97)(H,85,101)(H,86,106)(H,87,107)(H,88,110)(H,89,104)(H,90,103)(H,91,108)(H,92,109)(H,93,102)(H,94,105)(H,99,100)(H,113,114)(H4,77,78,80)/t39-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256277 (CHEMBL4093698) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C75H106N20O19S3/c1-37(2)19-50-65(104)89-52(25-45-28-79-36-82-45)67(106)86-49(15-16-60(76)98)64(103)90-53(26-61(99)100)68(107)87-51(20-38(3)4)66(105)94-58(74(113)114)35-117-32-43-22-41-21-42(23-43)31-116-34-57(71(110)88-50)93-63(102)48(13-9-17-80-75(77)78)85-62(101)39(5)83-72(111)59-14-10-18-95(59)73(112)54(24-44-27-81-47-12-8-7-11-46(44)47)91-69(108)55(29-96)92-70(109)56(33-115-30-41)84-40(6)97/h7-8,11-12,21-23,27-28,36-39,48-59,81,96H,9-10,13-20,24-26,29-35H2,1-6H3,(H2,76,98)(H,79,82)(H,83,111)(H,84,97)(H,85,101)(H,86,106)(H,87,107)(H,88,110)(H,89,104)(H,90,103)(H,91,108)(H,92,109)(H,93,102)(H,94,105)(H,99,100)(H,113,114)(H4,77,78,80)/t39-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256286 (CHEMBL4076199) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C79H109N19O20S3/c1-41(2)23-53-68(107)91-56(30-49-32-83-40-85-49)71(110)88-52(18-19-64(80)102)67(106)92-57(31-65(103)104)72(111)89-54(24-42(3)4)69(108)97-62(78(117)118)39-121-36-48-26-46-25-47(27-48)35-120-38-61(75(114)90-53)96-66(105)51(13-9-10-21-84-79(81)82)87-70(109)55(28-45-14-16-50(101)17-15-45)93-76(115)63-20-22-98(63)77(116)58(29-44-11-7-6-8-12-44)94-73(112)59(33-99)95-74(113)60(37-119-34-46)86-43(5)100/h6-8,11-12,14-17,25-27,32,40-42,51-63,99,101H,9-10,13,18-24,28-31,33-39H2,1-5H3,(H2,80,102)(H,83,85)(H,86,100)(H,87,109)(H,88,110)(H,89,111)(H,90,114)(H,91,107)(H,92,106)(H,93,115)(H,94,112)(H,95,113)(H,96,105)(H,97,108)(H,103,104)(H,117,118)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50066109 (3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...) Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50369383 (CHEMBL1788222) Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50040253 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256262 (CHEMBL4070056) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3)C(C)C |r| Show InChI InChI=1S/C114H161N29O28S3/c1-10-62(4)94-107(166)136-85(101(160)124-63(5)108(167)141(9)53-91(151)140(8)52-90(150)139(7)51-89(149)126-75(22-16-39-122-113(117)118)95(154)128-77(111(170)171)23-17-40-123-114(119)120)59-173-56-70-43-69-44-71(45-70)57-174-60-86(103(162)137-93(61(2)3)106(165)131-79(47-67-27-33-73(147)34-28-67)98(157)132-82(49-68-29-35-74(148)36-30-68)109(168)142-41-18-24-87(142)104(163)130-80(50-92(152)153)99(158)138-94)135-96(155)76(21-14-15-38-121-112(115)116)127-97(156)78(46-66-25-31-72(146)32-26-66)129-105(164)88-37-42-143(88)110(169)81(48-65-19-12-11-13-20-65)133-100(159)83(54-144)134-102(161)84(58-172-55-69)125-64(6)145/h11-13,19-20,25-36,43-45,61-63,75-88,93-94,144,146-148H,10,14-18,21-24,37-42,46-60H2,1-9H3,(H,124,160)(H,125,145)(H,126,149)(H,127,156)(H,128,154)(H,129,164)(H,130,163)(H,131,165)(H,132,157)(H,133,159)(H,134,161)(H,135,155)(H,136,166)(H,137,162)(H,138,158)(H,152,153)(H,170,171)(H4,115,116,121)(H4,117,118,122)(H4,119,120,123)/t62-,63-,75+,76-,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88?,93-,94-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50066109 (3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...) Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261255 (CHEMBL4084436) Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C16H11Cl2N7/c17-8-2-1-3-9(18)13(8)15-23-10-4-5-20-16(14(10)25-15)24-12-6-11(19)21-7-22-12/h1-7H,(H,23,25)(H3,19,20,21,22,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM263346 (US9546162, 4) Show SMILES OC(=O)c1ccc(CCc2cccc3CCN(Cc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c23)cc1 Show InChI InChI=1S/C26H21F6NO2/c27-25(28,29)21-12-17(13-22(14-21)26(30,31)32)15-33-11-10-19-3-1-2-18(23(19)33)7-4-16-5-8-20(9-6-16)24(34)35/h1-3,5-6,8-9,12-14H,4,7,10-11,15H2,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	11	n/a	n/a	7.4	n/a
ALLERGAN, INC. US Patent					Assay Description Cells were seeded at a density of 5×104 cells per well in Biocoat® Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) an...				US Patent US9546162 (2017) BindingDB Entry DOI: 10.7270/Q2P55QHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 51: 5019-34 (2008) Article DOI: 10.1021/jm800463f BindingDB Entry DOI: 10.7270/Q2W096VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230870 (CHEMBL70498) Show SMILES CSC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12 |t:2,11| Show InChI InChI=1S/C22H24ClN5S/c1-29-22-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230844 (CHEMBL71470) Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N=C3SC)CC1 |c:17,27| Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)15-17-16-28-22(24-17)18-7-3-4-8-19(18)25-23(28)30-2/h3-10,17H,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256260 (CHEMBL4094403) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC[C@H](C)NC(=O)[C@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C76H105N19O19S3/c1-40(2)22-53-67(105)94-60(75(113)114)38-117-35-47-24-45-23-46(25-47)34-116-37-59(71(109)84-41(3)30-82-52(28-48-31-80-39-83-48)66(104)87-51(17-18-62(77)99)65(103)89-55(29-63(100)101)69(107)88-53)93-64(102)50(12-8-9-20-81-76(78)79)86-68(106)54(26-44-13-15-49(98)16-14-44)90-73(111)61-19-21-95(61)74(112)56(27-43-10-6-5-7-11-43)91-70(108)57(32-96)92-72(110)58(36-115-33-45)85-42(4)97/h5-7,10-11,13-16,23-25,31,39-41,50-61,82,96,98H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,99)(H,80,83)(H,84,109)(H,85,97)(H,86,106)(H,87,104)(H,88,107)(H,89,103)(H,90,111)(H,91,108)(H,92,110)(H,93,102)(H,94,105)(H,100,101)(H,113,114)(H4,78,79,81)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230861 (CHEMBL2114072) Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)N(C)c2ccccc32)CC1 |c:16| Show InChI InChI=1S/C23H27N5O2/c1-25-19-8-4-3-7-18(19)22-24-15-17(28(22)23(25)29)16-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,17H,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230853 (CHEMBL304165) Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N(C)C3=O)CC1 |c:17| Show InChI InChI=1S/C23H27N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,17H,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256276 (CHEMBL4079260) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| Show InChI InChI=1S/C79H109N19O20S3/c1-41(2)23-53-68(107)91-56(30-49-32-83-40-85-49)71(110)88-52(19-20-64(80)102)67(106)92-57(31-65(103)104)72(111)89-54(24-42(3)4)69(108)97-62(78(117)118)39-121-36-48-26-46-25-47(27-48)35-120-38-61(75(114)90-53)96-66(105)51(13-9-21-84-79(81)82)87-70(109)55(28-45-15-17-50(101)18-16-45)93-76(115)63-14-10-22-98(63)77(116)58(29-44-11-7-6-8-12-44)94-73(112)59(33-99)95-74(113)60(37-119-34-46)86-43(5)100/h6-8,11-12,15-18,25-27,32,40-42,51-63,99,101H,9-10,13-14,19-24,28-31,33-39H2,1-5H3,(H2,80,102)(H,83,85)(H,86,100)(H,87,109)(H,88,110)(H,89,111)(H,90,114)(H,91,107)(H,92,106)(H,93,115)(H,94,112)(H,95,113)(H,96,105)(H,97,108)(H,103,104)(H,117,118)(H4,81,82,84)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Plasma kallikrein (Rattus norvegicus)	BDBM50256284 (CHEMBL4075544) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N2)c3 |r| Show InChI InChI=1S/C97H124N22O23S3/c1-47(2)28-64-83(127)114-71(88(132)105-50(5)97(141)142)44-143-41-52-29-53-31-54(30-52)43-145-46-73(96(140)119-27-15-24-76(119)92(136)109-65(32-55-38-101-61-19-10-7-16-58(55)61)84(128)107-69(37-79(123)124)82(126)104-49(4)94(138)117-25-13-22-74(117)90(134)108-64)115-86(130)66(33-56-39-102-62-20-11-8-17-59(56)62)110-91(135)75-23-14-26-118(75)95(139)70(36-78(100)122)112-85(129)67(34-57-40-103-63-21-12-9-18-60(57)63)111-93(137)80(51(6)120)116-87(131)68(35-77(99)121)106-89(133)72(45-144-42-53)113-81(125)48(3)98/h7-12,16-21,29-31,38-40,47-51,64-76,80,101-103,120H,13-15,22-28,32-37,41-46,98H2,1-6H3,(H2,99,121)(H2,100,122)(H,104,126)(H,105,132)(H,106,133)(H,107,128)(H,108,134)(H,109,136)(H,110,135)(H,111,137)(H,112,129)(H,113,125)(H,114,127)(H,115,130)(H,116,131)(H,123,124)(H,141,142)/t48-,49-,50-,51+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of recombinant Sprague-Dawley rat plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins foll...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261268 (CHEMBL4062758) Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H12Cl2N6/c1-9-7-13(22-8-21-9)24-17-15-12(5-6-20-17)23-16(25-15)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM263361 (US9546162, 19) Show SMILES COc1cc(CO)cc(c1)S(=O)(=O)N1CCc2cccc(CCc3ccc(cc3)C(O)=O)c12 Show InChI InChI=1S/C25H25NO6S/c1-32-22-13-18(16-27)14-23(15-22)33(30,31)26-12-11-20-4-2-3-19(24(20)26)8-5-17-6-9-21(10-7-17)25(28)29/h2-4,6-7,9-10,13-15,27H,5,8,11-12,16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	2	n/a	n/a	7.4	n/a
ALLERGAN, INC. US Patent					Assay Description HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom o...				US Patent US9546162 (2017) BindingDB Entry DOI: 10.7270/Q2P55QHV
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50369383 (CHEMBL1788222) Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50256288 (CHEMBL4085408) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)cc(CSC[C@H](NC1=O)C(=O)N[C@@H](C)C(O)=O)c3)C(C)C |r| Show InChI InChI=1S/C99H132N22O24S3/c1-7-52(4)81-95(141)117-72(89(135)106-54(6)98(144)145)48-146-45-59-35-60-37-61(36-59)47-148-50-74(91(137)118-80(51(2)3)94(140)112-66(39-57-24-28-62(122)29-25-57)85(131)113-71(41-58-26-30-63(123)31-27-58)97(143)121-34-16-23-76(121)93(139)111-69(44-79(126)127)88(134)119-81)116-83(129)64(21-14-32-105-99(103)104)107-84(130)65(38-55-17-10-8-11-18-55)110-92(138)75-22-15-33-120(75)96(142)70(40-56-19-12-9-13-20-56)114-87(133)68(43-78(102)125)108-86(132)67(42-77(101)124)109-90(136)73(49-147-46-60)115-82(128)53(5)100/h8-13,17-20,24-31,35-37,51-54,64-76,80-81,122-123H,7,14-16,21-23,32-34,38-50,100H2,1-6H3,(H2,101,124)(H2,102,125)(H,106,135)(H,107,130)(H,108,132)(H,109,136)(H,110,138)(H,111,139)(H,112,140)(H,113,131)(H,114,133)(H,115,128)(H,116,129)(H,117,141)(H,118,137)(H,119,134)(H,126,127)(H,144,145)(H4,103,104,105)/t52-,53-,54-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bicycle Therapeutics Limited, Building 900, Babraham Research Campus , Cambridge CB22 3AT , U.K. Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...				J Med Chem 61: 2823-2836 (2018) Article DOI: 10.1021/acs.jmedchem.7b01625 BindingDB Entry DOI: 10.7270/Q2862JW6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261261 (CHEMBL4075453) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCCC3)c2[nH]1 Show InChI InChI=1S/C20H17Cl2N7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM120128 (US8697708, 2) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1 Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440176 (CHEMBL2426570) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1 Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxycytidine kinase (Homo sapiens (Human))	BDBM50440172 (CHEMBL2426574) Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1 Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Apparent inhibition of human dCK by steady-state kinetic assay				J Med Chem 57: 9480-94 (2014) Article DOI: 10.1021/jm501124j BindingDB Entry DOI: 10.7270/Q29025DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261256 (CHEMBL4071399) Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50040253 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230847 (CHEMBL2114069) Show SMILES Clc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:15| Show InChI InChI=1S/C21H22ClN5O/c22-17-6-2-4-8-19(17)26-11-9-25(10-12-26)14-15-13-23-20-16-5-1-3-7-18(16)24-21(28)27(15)20/h1-8,15H,9-14H2,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261254 (CHEMBL4074130) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3ccncn3)c2[nH]1 Show InChI InChI=1S/C16H10Cl2N6/c17-9-2-1-3-10(18)13(9)15-22-11-4-7-20-16(14(11)24-15)23-12-5-6-19-8-21-12/h1-8H,(H,22,24)(H,19,20,21,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36608 (Rapamycin C-7, analog 1) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42-,43+,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261276 (CHEMBL4092116) Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C17H10Cl2N8/c18-9-3-8(6-20)4-10(19)14(9)16-25-11-1-2-22-17(15(11)27-16)26-13-5-12(21)23-7-24-13/h1-5,7H,(H,25,27)(H3,21,22,23,24,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261274 (CHEMBL4062680) Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C18H12Cl2N8/c1-22-13-6-14(25-8-24-13)27-18-16-12(2-3-23-18)26-17(28-16)15-10(19)4-9(7-21)5-11(15)20/h2-6,8H,1H3,(H,26,28)(H2,22,23,24,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261260 (CHEMBL4069942) Show SMILES CN(C)c1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C18H15Cl2N7/c1-27(2)14-8-13(22-9-23-14)25-18-16-12(6-7-21-18)24-17(26-16)15-10(19)4-3-5-11(15)20/h3-9H,1-2H3,(H,24,26)(H,21,22,23,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261270 (CHEMBL4093872) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCOCC3)c2[nH]1 Show InChI InChI=1S/C20H17Cl2N7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50040260 (2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...) Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50066109 (3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...) Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16| Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane				J Med Chem 41: 3128-41 (1998) Article DOI: 10.1021/jm970159v BindingDB Entry DOI: 10.7270/Q2GM880H
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50230851 (CHEMBL70347) Show SMILES CN1C(=O)N2CC(CN3CCN(CC3)c3ccccc3Cl)N=C2c2ccccc12 |c:23| Show InChI InChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22(25)29)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).				J Med Chem 36: 2196-207 (1993) Article DOI: 10.1021/jm00067a017 BindingDB Entry DOI: 10.7270/Q298896M
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261269 (CHEMBL4092191) Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ccn3)C#N)c2[nH]1 Show InChI InChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261257 (CHEMBL4099854) Show SMILES COc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1 Show InChI InChI=1S/C17H12Cl2N6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair

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