Compile Data Set for Download or QSAR

Found 703 hits with Last Name = 'chen' and Initial = 'ay'   

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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252182 (US9458110, 254) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM251935 (US9458110, 7) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546544 (CHEMBL4791701) Show SMILES CCc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1cccc(OC)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506498 (CHEMBL4581886) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc2C(=O)NCc2c1 Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-14-13(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)24-19(32-14)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506506 (CHEMBL4465833) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506504 (CHEMBL4460663) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc2C(=O)NCc2c1 Show InChI InChI=1S/C19H13FN6O5S2/c20-12-5-13-14(4-11(12)8-1-2-10-9(3-8)6-22-17(10)28)32-19(24-13)16(27)18-26-25-15(31-18)7-23-33(21,29)30/h1-5,23H,6-7H2,(H,22,28)(H2,21,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506505 (CHEMBL4460376) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252032 (US9458110, 103) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50546544 (CHEMBL4791701) Show SMILES CCc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1cccc(OC)c1 |r| Show InChI	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM252182 (US9458110, 254) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r| Show InChI	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506501 (CHEMBL4563019) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(F)c1 Show InChI InChI=1S/C22H18F2N6O6S2/c23-14-7-11(1-2-12(14)22(32)30-3-5-35-6-4-30)13-8-17-16(9-15(13)24)27-21(37-17)19(31)20-29-28-18(36-20)10-26-38(25,33)34/h1-2,7-9,26H,3-6,10H2,(H2,25,33,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM251935 (US9458110, 7) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516404 (CHEMBL4439823) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(O)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C30H25F12NO5/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)43-24(45)23(44)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,44,46H,14H2,1-2H3,(H,43,45)/t23?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086 BindingDB Entry DOI: 10.7270/Q2TX3JQJ
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50506500 (CHEMBL4471611) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)-c1ccc(F)nc1 Show InChI InChI=1S/C16H10F2N6O4S2/c17-9-4-10-11(3-8(9)7-1-2-12(18)20-5-7)29-16(22-10)14(25)15-24-23-13(28-15)6-21-30(19,26)27/h1-5,21H,6H2,(H2,19,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252039 (US9458110, 110) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50392514 (CHEMBL2152167) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C27H23ClF7N3O2/c28-18-6-7-22(36-15-18)26(13-16-4-2-1-3-5-16,38-24(39)37-20-8-9-25(32,33)14-20)17-10-19(29)12-21(11-17)40-27(34,35)23(30)31/h1-7,10-12,15,20,23H,8-9,13-14H2,(H2,37,38,39)/t20-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 6503-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.011 BindingDB Entry DOI: 10.7270/Q2XP761G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252036 (US9458110, 107) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM251982 (US9458110, 55) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1 Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)18-8-7-15(10-19(18)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252001 (US9458110, 1) Show SMILES COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1 Show InChI InChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546545 (CHEMBL4753754) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50178701 (CHEMBL3814374) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...				Bioorg Med Chem Lett 26: 3278-3281 (2016) Article DOI: 10.1016/j.bmcl.2016.05.058 BindingDB Entry DOI: 10.7270/Q2TQ63FN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM252065 (US9458110, 136) Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50178698 (CHEMBL3813720) Show SMILES OC(CN[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F |r| Show InChI InChI=1S/C25H21ClF8N2O2/c26-17-6-7-21(35-13-17)23(11-15-4-2-1-3-5-15,36-14-19(37)12-24(30,31)32)16-8-18(27)10-20(9-16)38-25(33,34)22(28)29/h1-10,13,19,22,36-37H,11-12,14H2/t19?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...				Bioorg Med Chem Lett 26: 3278-3281 (2016) Article DOI: 10.1016/j.bmcl.2016.05.058 BindingDB Entry DOI: 10.7270/Q2TQ63FN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546535 (CHEMBL4746508) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1c(F)cccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50178699 (CHEMBL3813836) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...				Bioorg Med Chem Lett 26: 3278-3281 (2016) Article DOI: 10.1016/j.bmcl.2016.05.058 BindingDB Entry DOI: 10.7270/Q2TQ63FN
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50506499 (CHEMBL4463265) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516410 (CHEMBL4574163) Show SMILES NC(C(=O)N[C@](Cc1ccccc1)(c1ccc(F)c(OC2CC2)c1)c1cc(F)cc(OC(F)(F)C(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C30H24F12N2O4/c31-18-10-17(11-20(13-18)48-28(35,36)25(33)34)26(14-15-4-2-1-3-5-15,16-6-9-21(32)22(12-16)47-19-7-8-19)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h1-6,9-13,19,23,25,46H,7-8,14,43H2,(H,44,45)/t23?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086 BindingDB Entry DOI: 10.7270/Q2TX3JQJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50392527 (CHEMBL2152180) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCCC(F)(F)F)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C25H20ClF8N3O2/c26-17-6-7-20(36-14-17)23(13-15-4-2-1-3-5-15,37-22(38)35-9-8-24(30,31)32)16-10-18(27)12-19(11-16)39-25(33,34)21(28)29/h1-7,10-12,14,21H,8-9,13H2,(H2,35,37,38)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 6503-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.011 BindingDB Entry DOI: 10.7270/Q2XP761G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546534 (CHEMBL4799704) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546539 (CHEMBL4757844) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](c1ccccc1F)C(C)(C)O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM251931 (US9458110, 3) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C18H16ClN3O2/c1-24-17-8-12(6-7-15(17)14-10-21-22-11-14)18(23)20-9-13-4-2-3-5-16(13)19/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM251933 (US9458110, 5) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1ccccc1 Show InChI InChI=1S/C19H19N3O3/c1-25-18-9-14(7-8-16(18)15-10-20-21-11-15)19(24)22-17(12-23)13-5-3-2-4-6-13/h2-11,17,23H,12H2,1H3,(H,20,21)(H,22,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50178702 (CHEMBL3814963) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@@H](O)CC(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C29H28F9NO3/c1-17(2)41-25-12-19(8-9-24(25)31)27(14-18-6-4-3-5-7-18,39-16-22(40)15-28(34,35)36)20-10-21(30)13-23(11-20)42-29(37,38)26(32)33/h3-13,17,22,26,39-40H,14-16H2,1-2H3/t22-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...				Bioorg Med Chem Lett 26: 3278-3281 (2016) Article DOI: 10.1016/j.bmcl.2016.05.058 BindingDB Entry DOI: 10.7270/Q2TQ63FN
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50178700 (CHEMBL3814418) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC[C@H](O)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C28H26F9NO3/c1-16(2)40-23-12-18(8-9-22(23)30)26(14-17-6-4-3-5-7-17,38-15-24(39)27(33,34)35)19-10-20(29)13-21(11-19)41-28(36,37)25(31)32/h3-13,16,24-25,38-39H,14-15H2,1-2H3/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...				Bioorg Med Chem Lett 26: 3278-3281 (2016) Article DOI: 10.1016/j.bmcl.2016.05.058 BindingDB Entry DOI: 10.7270/Q2TQ63FN
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424 BindingDB Entry DOI: 10.7270/Q2TF01QC
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM187287 (US9169240, 27) Show SMILES CN(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H15N5O4S2/c1-23(29(19,25)26)10-15-21-22-17(27-15)16(24)18-20-13-8-7-12(9-14(13)28-18)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,19,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50392530 (CHEMBL2152183) Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NCC(F)(F)F)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C24H18ClF8N3O2/c25-16-6-7-19(34-12-16)22(11-14-4-2-1-3-5-14,36-21(37)35-13-23(29,30)31)15-8-17(26)10-18(9-15)38-24(32,33)20(27)28/h1-10,12,20H,11,13H2,(H2,35,36,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 6503-8 (2012) Article DOI: 10.1016/j.bmcl.2012.08.011 BindingDB Entry DOI: 10.7270/Q2XP761G
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50516398 (CHEMBL4457286) Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r| Show InChI InChI=1S/C30H26F12N2O4/c1-15(2)47-22-12-17(8-9-21(22)32)26(14-16-6-4-3-5-7-16,18-10-19(31)13-20(11-18)48-28(35,36)25(33)34)44-24(45)23(43)27(46,29(37,38)39)30(40,41)42/h3-13,15,23,25,46H,14,43H2,1-2H3,(H,44,45)/t23?,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay				ACS Med Chem Lett 10: 911-916 (2019) Article DOI: 10.1021/acsmedchemlett.9b00086 BindingDB Entry DOI: 10.7270/Q2TX3JQJ
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104843 (CHEMBL419578 | N-[3-(3-Bromo-4-fluoro-phenyl)-2,2-...) Show SMILES CC1(C)[C@@H]([C@H]1c1ccc(F)c(Br)c1)C(=O)NC(N)=N Show InChI InChI=1S/C13H15BrFN3O/c1-13(2)9(10(13)11(19)18-12(16)17)6-3-4-8(15)7(14)5-6/h3-5,9-10H,1-2H3,(H4,16,17,18,19)/t9-,10+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50094519 ((R)-1,1,1-Trifluoro-3-{(3-phenoxy-phenyl)-[3-(1,1,...) Show SMILES O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F Show InChI InChI=1S/C24H20F7NO3/c25-22(26)24(30,31)35-20-11-4-6-16(12-20)14-32(15-21(33)23(27,28)29)17-7-5-10-19(13-17)34-18-8-2-1-3-9-18/h1-13,21-22,33H,14-15H2/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CETP by scintillation proximity assay				Bioorg Med Chem Lett 18: 2640-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.030 BindingDB Entry DOI: 10.7270/Q2V40W3V
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50546545 (CHEMBL4753754) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r| Show InChI	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546540 (CHEMBL4756156) Show SMILES COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM205027 (US9249096, 40) Show SMILES OC1=C(CN(Cc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1 |t:1| Show InChI InChI=1S/C21H20Cl2N2O3/c22-17-9-8-14(11-18(17)23)7-4-10-24-20(27)16-13-25(21(28)19(16)26)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,26H,4,7,10,12-13H2,(H,24,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...				ACS Med Chem Lett 9: 673-678 (2018) Article DOI: 10.1021/acsmedchemlett.8b00138 BindingDB Entry DOI: 10.7270/Q2JS9T2R
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50546542 (CHEMBL4780269) Show SMILES COc1cc(NC(=O)[C@H](N)c2ccccc2Cl)ccc1-c1cn[nH]c1 |r| 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					Assay Description Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50506506 (CHEMBL4465833) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(F)c(cc2s1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C14H10F4N6O5S2/c15-6-2-7-8(1-5(6)11(26)20-4-14(16,17)18)30-13(22-7)10(25)12-24-23-9(29-12)3-21-31(19,27)28/h1-2,21H,3-4H2,(H,20,26)(H2,19,27,28)	KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50506505 (CHEMBL4460376) Show SMILES NS(=O)(=O)NCc1nnc(o1)C(=O)c1nc2cc(c(F)cc2s1)-c1ccc(cc1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C20H14F4N6O5S2/c21-12-6-14-13(5-11(12)9-1-3-10(4-2-9)17(32)26-8-20(22,23)24)28-19(36-14)16(31)18-30-29-15(35-18)7-27-37(25,33)34/h1-6,27H,7-8H2,(H,26,32)(H2,25,33,34)	KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50546533 (CHEMBL4764401) Show SMILES COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1 |r| Show InChI	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM251931 (US9458110, 3) Show SMILES COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C18H16ClN3O2/c1-24-17-8-12(6-7-15(17)14-10-21-22-11-14)18(23)20-9-13-4-2-3-5-16(13)19/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127495 BindingDB Entry DOI: 10.7270/Q2J969Z7
					More data for this Ligand-Target Pair
Hepatic triacylglycerol lipase (Homo sapiens (Human))	BDBM187290 (US9169240, 30) Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1 Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...				J Med Chem 63: 1660-1670 (2020) Article DOI: 10.1021/acs.jmedchem.9b01831 BindingDB Entry DOI: 10.7270/Q28G8PZS
					More data for this Ligand-Target Pair
Sodium/hydrogen exchanger 1 (Homo sapiens (Human))	BDBM50104848 (CHEMBL112903 | N-[3-(3-Ethyl-4-fluoro-phenyl)-2,2-...) Show SMILES CCc1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C Show InChI InChI=1S/C15H20FN3O/c1-4-8-7-9(5-6-10(8)16)11-12(15(11,2)3)13(20)19-14(17)18/h5-7,11-12H,4H2,1-3H3,(H4,17,18,19,20)/t11-,12+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity				J Med Chem 44: 3302-10 (2001) BindingDB Entry DOI: 10.7270/Q2H41QQ4
					More data for this Ligand-Target Pair

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