Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'hwang' and Initial = 'l'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592246 (T3-CLK) Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50260529 (CHEMBL4077626) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C83H121N21O20S/c1-10-44(6)67(102-76(118)62(38-65(109)110)99-79(121)68(45(7)106)103-75(117)59(35-47-25-27-50(108)28-26-47)96-74(116)61(37-49-40-91-54-21-14-12-19-52(49)54)97-72(114)58(34-42(2)3)92-46(8)107)78(120)95-55(22-15-30-88-82(84)85)69(111)94-57(29-33-125-9)70(112)100-63(41-105)77(119)98-60(36-48-39-90-53-20-13-11-18-51(48)53)73(115)93-56(23-16-31-89-83(86)87)71(113)101-66(43(4)5)80(122)104-32-17-24-64(104)81(123)124/h11-14,18-21,25-28,39-40,42-45,55-64,66-68,90-91,105-106,108H,10,15-17,22-24,29-38,41H2,1-9H3,(H,92,107)(H,93,115)(H,94,111)(H,95,120)(H,96,116)(H,97,114)(H,98,119)(H,99,121)(H,100,112)(H,101,113)(H,102,118)(H,103,117)(H,109,110)(H,123,124)(H4,84,85,88)(H4,86,87,89)/t44-,45+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592247 (CHEMBL5200367) Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592247 (CHEMBL5200367) Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239363 (CHEMBL4094351) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)Nc4c(OC\C=C\CO2)c3)n2ncc(C#N)c2n1 |r,t:26| Show InChI InChI=1S/C25H25N7O4/c26-11-16-12-27-32-22-10-21(29-25(16)32)31-13-19(9-18(31)14-33)35-5-1-2-6-36-20-8-17(28-22)7-15-3-4-23(34)30-24(15)20/h1-2,7-8,10,12,18-19,28,33H,3-6,9,13-14H2,(H,30,34)/b2-1+/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592235 (CHEMBL5205505) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(F)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50592236 (CHEMBL5206943) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(Cl)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602185 (CHEMBL5184651) Show SMILES CN1CCN2[C@H](C1)COCCOc1cc(Nc3nc2nc(F)c3Cl)cc2CCC(=O)N(C)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592236 (CHEMBL5206943) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(Cl)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239362 (CHEMBL4064865) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:34| Show InChI InChI=1S/C31H31ClN6O4/c32-25-16-33-38-28-15-27(35-31(25)38)36-18-24(14-23(36)19-39)41-10-4-5-11-42-26-13-22(34-28)12-21-8-9-29(40)37(30(21)26)17-20-6-2-1-3-7-20/h1-7,12-13,15-16,23-24,34,39H,8-11,14,17-19H2/b5-4+/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391222 (CHEMBL5286830) Show SMILES Nc1ncc(OCc2ccc(OCc3ccccc3)cc2)c(N)n1 Show InChI InChI=1S/C18H18N4O2/c19-17-16(10-21-18(20)22-17)24-12-14-6-8-15(9-7-14)23-11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H4,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592249 (CHEMBL5191395) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cc(F)cc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592246 (T3-CLK) Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321752 (5-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...) Show SMILES COc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO3/c1-19-12-8-3-2-5-9(12)14-17-11-7-4-6-10(16)13(11)15(18)20-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592237 (CHEMBL5172542) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592238 (CHEMBL5191525) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cccc(F)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321750 (5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...) Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321749 (5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321750 (5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...) Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.5	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321749 (5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321748 (5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230693 (CHEMBL5269254) Show SMILES CCCN(CCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C28H38N4O2/c1-3-16-30(17-4-2)18-13-22-14-19-31(20-15-22)21-27(33)32-25-11-7-5-9-23(25)28(34)29-24-10-6-8-12-26(24)32/h5-12,22H,3-4,13-21H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592239 (CHEMBL5183331) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321752 (5-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...) Show SMILES COc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO3/c1-19-12-8-3-2-5-9(12)14-17-11-7-4-6-10(16)13(11)15(18)20-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391220 (CHEMBL5277976) Show SMILES Cc1nc(N)nc(N)c1Cc1ccccc1 Show InChI InChI=1S/C12H14N4/c1-8-10(11(13)16-12(14)15-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H4,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321751 (5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592240 (CHEMBL5177305) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1OC(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063047 (CHEMBL3398148) Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321748 (5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321751 (5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57.1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50391221 (CHEMBL5273385) Show SMILES Cc1nc(N)nc(N)c1CCc1ccccc1 Show InChI InChI=1S/C13H16N4/c1-9-11(12(14)17-13(15)16-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H4,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592241 (CHEMBL5206862) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592242 (CHEMBL5174345) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(Br)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592243 (CHEMBL5181998) Show SMILES CCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239369 (CHEMBL4100303) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5ccccc5C)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:35| Show InChI InChI=1S/C32H33ClN6O4/c1-20-6-2-3-7-22(20)17-38-30(41)9-8-21-12-23-13-27(31(21)38)43-11-5-4-10-42-25-14-24(19-40)37(18-25)28-15-29(35-23)39-32(36-28)26(33)16-34-39/h2-7,12-13,15-16,24-25,35,40H,8-11,14,17-19H2,1H3/b5-4+/t24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592244 (CHEMBL5194284) Show SMILES CCCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592245 (CHEMBL5200302) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50230700 (CHEMBL4075278) Show SMILES CCCCN(CCCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C30H42N4O2/c1-3-5-18-32(19-6-4-2)20-15-24-16-21-33(22-17-24)23-29(35)34-27-13-9-7-11-25(27)30(36)31-26-12-8-10-14-28(26)34/h7-14,24H,3-6,15-23H2,1-2H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50239385 (CHEMBL4092565) Show SMILES [H][C@]12C[C@@H](CO)N(C1)c1cc(Nc3cc4CCC(=O)N(Cc5cccc(OC)c5)c4c(OC\C=C\CO2)c3)n2ncc(Cl)c2n1 |r,t:36| Show InChI InChI=1S/C32H33ClN6O5/c1-42-24-6-4-5-20(11-24)17-38-30(41)8-7-21-12-22-13-27(31(21)38)44-10-3-2-9-43-25-14-23(19-40)37(18-25)28-15-29(35-22)39-32(36-28)26(33)16-34-39/h2-6,11-13,15-16,23,25,35,40H,7-10,14,17-19H2,1H3/b3-2+/t23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063052 (CHEMBL3398143) Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
B-cell lymphoma 6 protein (Homo sapiens)	BDBM50602186 (CHEMBL5207356) Show SMILES CN1C(=O)CCc2cc3Nc4nc(ncc4Cl)N4CCN(C[C@@H]4COCCOc(c3)c12)C(=O)CCC(=O)NCCCOCCOCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cia SA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 39: 2197-206 (1996) Article DOI: 10.1021/jm9508853
					More data for this Ligand-Target Pair

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