Compile Data Set for Download or QSAR

Found 1159 hits with Last Name = 'mei' 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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21244 (2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21244 (2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21244 (2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM86515 (CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...) Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM86515 (CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...) Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	22.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM86514 (BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658) Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1 Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	45.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM86514 (BAY 59-3074 | CAS_406205-74-1 | CHEMBL1354658) Show SMILES FC(F)(F)CCCS(=O)(=O)Oc1cccc(Oc2cccc(c2C#N)C(F)(F)F)c1 Show InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	55.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM86515 (CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...) Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	69.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 620-32 (2004) Article DOI: 10.1124/jpet.103.062836 BindingDB Entry DOI: 10.7270/Q2N0154R
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105934 (2-(6-Amino-purin-7-ylmethoxy)-ethanol | CHEMBL1260...) Show SMILES Nc1ncnc2ncn(COCCO)c12 Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)12-4-13(6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50369958 (CHEMBL1790862) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O Show InChI InChI=1S/C18H24N10O10P2/c19-14-10-17(24-5-21-14)28(7-25-10)18-12(29)13(9(37-18)3-36-40(32,33)34)38-39(30,31)8-35-2-1-27-6-26-16-11(27)15(20)22-4-23-16/h4-7,9,12-13,18,29H,1-3,8H2,(H,30,31)(H2,19,21,24)(H2,20,22,23)(H2,32,33,34)/t9-,12-,13-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50029650 (2-(6-Amino-purin-9-ylmethoxy)-ethanol | CHEMBL3775...) Show SMILES Nc1ncnc2n(COCCO)cnc12 Show InChI InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50369958 (CHEMBL1790862) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O Show InChI InChI=1S/C18H24N10O10P2/c19-14-10-17(24-5-21-14)28(7-25-10)18-12(29)13(9(37-18)3-36-40(32,33)34)38-39(30,31)8-35-2-1-27-6-26-16-11(27)15(20)22-4-23-16/h4-7,9,12-13,18,29H,1-3,8H2,(H,30,31)(H2,19,21,24)(H2,20,22,23)(H2,32,33,34)/t9-,12-,13-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50369957 (CHEMBL1790864) Show SMILES COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)COCCn1cnc2ncnc(N)c12)n1cnc2c(N)ncnc12 |c:2| Show InChI InChI=1S/C26H32N10O14P2/c1-43-19-13(49-26(38)20(19)44-2)3-5-46-52(41,42)47-7-14-18(17(37)25(48-14)36-11-33-15-21(27)29-9-32-24(15)36)50-51(39,40)12-45-6-4-35-10-34-23-16(35)22(28)30-8-31-23/h3,8-11,14,17-18,25,37H,4-7,12H2,1-2H3,(H,39,40)(H,41,42)(H2,27,29,32)(H2,28,30,31)/b13-3-/t14-,17-,18-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105931 (CHEMBL123655 | [2-(6-Amino-purin-7-yl)-ethoxymethy...) Show SMILES Nc1ncnc2ncn(CCOCP(O)(O)=O)c12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)12-4-13(6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50105935 (CHEMBL121723 | [2-(6-Amino-purin-9-yl)-ethoxymethy...) Show SMILES COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)COCCn1cnc2c(N)ncnc12 |c:2| Show InChI InChI=1S/C16H20N5O8P/c1-25-12-10(29-16(22)13(12)26-2)3-5-28-30(23,24)9-27-6-4-21-8-20-11-14(17)18-7-19-15(11)21/h3,7-8H,4-6,9H2,1-2H3,(H,23,24)(H2,17,18,19)/b10-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against adenosine deaminase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Phosphoribosyl pyrophosphate synthase-associated protein 2 (Homo sapiens (Human))	BDBM50105931 (CHEMBL123655 | [2-(6-Amino-purin-7-yl)-ethoxymethy...) Show SMILES Nc1ncnc2ncn(CCOCP(O)(O)=O)c12 Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)12-4-13(6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry Curated by ChEMBL					Assay Description Inhibitory activity against PRPP synthetase				J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.00250	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50409115 (LONAPRISAN) Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37| Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.00360	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description In vitro antgonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor				J Med Chem 43: 5010-6 (2001) BindingDB Entry DOI: 10.7270/Q2VT1T90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228403 ((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1 Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay				ACS Med Chem Lett 7: 498-501 (2016) Article DOI: 10.1021/acsmedchemlett.6b00027 BindingDB Entry DOI: 10.7270/Q2CN75SM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50327343 (2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...) Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Schering Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay				Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256036 (US9481672, 217) Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H23F3N4O5/c1-13(2)32-21-11-14(7-9-20(21)30(3)24(32)37)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)5-4-6-18(15)26(27,28)29/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,35,36)/t19-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255962 (US9481672, 140) Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(18(12)24)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255964 (US9481672, 142) Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(24)17(11)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255968 (US9481672, 146) Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC5CC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C26H23F3N4O5/c1-14-16(4-3-5-19(14)26(27,28)29)12-33-22(34)18(23(35)36)13-31(25(33)38)17-8-9-20-21(10-17)32(11-15-6-7-15)24(37)30(20)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256064 (US9481672, 246) Show SMILES Cn1c2ccc(cc2n(CC(O)C(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H20F6N4O6/c1-33-18-7-5-12(9-19(18)35(23(33)41)11-20(37)26(30,31)32)34-10-15(22(39)40)21(38)36(24(34)42)17-8-6-13-14(17)3-2-4-16(13)25(27,28)29/h2-5,7,9-10,17,20,37H,6,8,11H2,1H3,(H,39,40)/t17-,20?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50143574 (7-((4aS,7aS)-6-Benzyl-octahydro-pyrrolo[3,4-b]pyri...) Show SMILES C(N1C[C@@H]2CCCN([C@@H]2C1)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H25N5O/c1-3-8-18(9-4-1)14-29-15-20-12-7-13-30(21(20)16-29)23-22-25(27-17-26-23)31-24(28-22)19-10-5-2-6-11-19/h1-6,8-11,17,20-21H,7,12-16H2/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256099 (US9481672, 281) Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256065 (US9481672, 247) Show SMILES Cn1c2ccc(cc2n(CCC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H20F6N4O5/c1-33-19-7-5-13(11-20(19)34(23(33)40)10-9-25(27,28)29)35-12-16(22(38)39)21(37)36(24(35)41)18-8-6-14-15(18)3-2-4-17(14)26(30,31)32/h2-5,7,11-12,18H,6,8-10H2,1H3,(H,38,39)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50094464 (CHEMBL3590107 | US10525036, Example SCH772984 | US...) Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay				ACS Med Chem Lett 9: 761-767 (2018) Article DOI: 10.1021/acsmedchemlett.8b00220 BindingDB Entry DOI: 10.7270/Q2HX1G9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine kinase (Homo sapiens (Human))	BDBM50143581 (7-[4-(4-Fluoro-benzyl)-[1,4]diazepan-1-yl]-2-pheny...) Show SMILES Fc1ccc(CN2CCCN(CC2)c2ncnc3oc(nc23)-c2ccccc2)cc1 Show InChI InChI=1S/C23H22FN5O/c24-19-9-7-17(8-10-19)15-28-11-4-12-29(14-13-28)21-20-23(26-16-25-21)30-22(27-20)18-5-2-1-3-6-18/h1-3,5-10,16H,4,11-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50143575 (7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-2...) Show SMILES C(N1CCC2CN(CC12)c1ncnc2oc(nc12)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C23H22N6O/c1-2-4-16(5-3-1)12-28-11-8-18-13-29(14-19(18)28)21-20-23(26-15-25-21)30-22(27-20)17-6-9-24-10-7-17/h1-7,9-10,15,18-19H,8,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 9 (Homo sapiens (Human))	BDBM458963 ((4-{[2-(4-Bromophenyl)imidazo[,2-a]pyridin-3-yl]me...) Show SMILES Brc1ccc(cc1)-c1nc2ccccn2c1CN1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C24H27BrN4O/c25-20-10-8-18(9-11-20)23-21(29-12-4-3-7-22(29)26-23)17-27-13-15-28(16-14-27)24(30)19-5-1-2-6-19/h3-4,7-12,19H,1-2,5-6,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...				US Patent US10759794 (2020) BindingDB Entry DOI: 10.7270/Q2KK9FW6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Flt-3 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50327327 (2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazo...) Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O3/c1-15-6-4-5-7-22(15)29-24(23(16(2)28-29)17-8-10-18(26)11-9-17)27-21-13-12-19(32-3)14-20(21)25(30)31/h4-14,27H,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Schering Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay				Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50143592 (7-((3aS,6aS)-1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrr...) Show SMILES C(N1CC[C@H]2CN(C[C@@H]12)c1ncnc2oc(nc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H23N5O/c1-3-7-17(8-4-1)13-28-12-11-19-14-29(15-20(19)28)22-21-24(26-16-25-22)30-23(27-21)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AG Curated by ChEMBL					Assay Description Inhibitory activity against human adenosine kinase expressed in E. coli				Bioorg Med Chem Lett 14: 1997-2000 (2004) Article DOI: 10.1016/j.bmcl.2004.01.082 BindingDB Entry DOI: 10.7270/Q2GQ6X6B
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM60417 (US9051329, Example 1) Show SMILES CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O |r| Show InChI InChI=1S/C21H21FN8O2/c1-27-16(31)11-30-19(32)17-18(25-20(27)30)26-21(28-6-2-3-15(24)10-28)29(17)9-13-7-14(22)5-4-12(13)8-23/h4-5,7,15H,2-3,6,9-11,24H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay				ACS Med Chem Lett 7: 498-501 (2016) Article DOI: 10.1021/acsmedchemlett.6b00027 BindingDB Entry DOI: 10.7270/Q2CN75SM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50458811 (CHEMBL4209570) Show SMILES COc1cc(ccn1)-c1n[nH]c2ccc(NC(=O)[C@@]3(CCN(CC(=O)N4CCC(=CC4)c4ccc(cc4)-c4ncn(C)n4)C3)SC)cc12 |r,c:29| Show InChI InChI=1S/C35H37N9O3S/c1-42-22-37-33(41-42)25-6-4-23(5-7-25)24-11-15-44(16-12-24)31(45)20-43-17-13-35(21-43,48-3)34(46)38-27-8-9-29-28(19-27)32(40-39-29)26-10-14-36-30(18-26)47-2/h4-11,14,18-19,22H,12-13,15-17,20-21H2,1-3H3,(H,38,46)(H,39,40)/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay				ACS Med Chem Lett 9: 761-767 (2018) Article DOI: 10.1021/acsmedchemlett.8b00220 BindingDB Entry DOI: 10.7270/Q2HX1G9S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM88376 (US9695131, 13) Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(-c2nnn[nH]2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9695131 (2017) BindingDB Entry DOI: 10.7270/Q2ZP448Z
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344367 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255927 (US9481672, 104) Show SMILES CCOC(=O)c1cn(-c2cc3n(C)c(=O)n(C)c3cc2F)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H22F4N4O5/c1-4-39-23(36)15-12-33(19-11-21-20(10-17(19)27)31(2)24(37)32(21)3)25(38)34(22(15)35)18-9-8-13-14(18)6-5-7-16(13)26(28,29)30/h5-7,10-12,18H,4,8-9H2,1-3H3/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255944 (US9481672, 122) Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2C(F)(F)F)C(F)(F)F)c1=O Show InChI InChI=1S/C23H16F6N4O5/c1-30-15-7-6-12(8-16(15)31(2)20(30)37)32-10-13(19(35)36)18(34)33(21(32)38)9-11-4-3-5-14(22(24,25)26)17(11)23(27,28)29/h3-8,10H,9H2,1-2H3,(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair

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