Compile Data Set for Download or QSAR

Found 15097 hits with Last Name = 'eng' and Initial = 'w'   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434655 (CHEMBL2387464) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r| Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434654 (CHEMBL2387465) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r| Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434656 (CHEMBL2387463) Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434666 (CHEMBL2387471) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434655 (CHEMBL2387464) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r| Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434658 (CHEMBL2387479) Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12751 (1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...) Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Coagulation factor Xa (serine protease) was determined				Bioorg Med Chem Lett 12: 1511-5 (2002) BindingDB Entry DOI: 10.7270/Q2P84B6X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434663 (CHEMBL2387474) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434657 (CHEMBL2387462) Show SMILES FC1(CNc2ccn3ncc(C(=O)Nc4c[nH]c5ncccc45)c3n2)CCNCC1 Show InChI InChI=1S/C20H21FN8O/c21-20(4-7-22-8-5-20)12-25-16-3-9-29-18(28-16)14(10-26-29)19(30)27-15-11-24-17-13(15)2-1-6-23-17/h1-3,6,9-11,22H,4-5,7-8,12H2,(H,23,24)(H,25,28)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434654 (CHEMBL2387465) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r| Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434666 (CHEMBL2387471) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434658 (CHEMBL2387479) Show SMILES F[C@@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434656 (CHEMBL2387463) Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434659 (CHEMBL2387478) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50125967 (CHEMBL3627846) Show SMILES Cc1ccc2c(c1)nc(CCN1C(=O)c3ccccc3C1=O)n(-c1ccc3n(C)ncc3c1)c2=O Show InChI InChI=1S/C27H21N5O3/c1-16-7-9-21-22(13-16)29-24(11-12-31-25(33)19-5-3-4-6-20(19)26(31)34)32(27(21)35)18-8-10-23-17(14-18)15-28-30(23)2/h3-10,13-15H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem Lett 25: 4893-8 (2015) Article DOI: 10.1016/j.bmcl.2015.05.080 BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434663 (CHEMBL2387474) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50434655 (CHEMBL2387464) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3ccccc3F)c2n1 |r| Show InChI InChI=1S/C26H24F2N8O/c27-20-4-2-1-3-17(20)16-9-18-22(14-32-24(18)31-11-16)34-26(37)19-12-33-36-8-6-23(35-25(19)36)30-10-15-5-7-29-13-21(15)28/h1-4,6,8-9,11-12,14-15,21,29H,5,7,10,13H2,(H,30,35)(H,31,32)(H,34,37)/t15-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434667 (CHEMBL2387470) Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434657 (CHEMBL2387462) Show SMILES FC1(CNc2ccn3ncc(C(=O)Nc4c[nH]c5ncccc45)c3n2)CCNCC1 Show InChI InChI=1S/C20H21FN8O/c21-20(4-7-22-8-5-20)12-25-16-3-9-29-18(28-16)14(10-26-29)19(30)27-15-11-24-17-13(15)2-1-6-23-17/h1-3,6,9-11,22H,4-5,7-8,12H2,(H,23,24)(H,25,28)(H,27,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50434654 (CHEMBL2387465) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncc(cc34)-c3c(F)cccc3F)c2n1 |r| Show InChI InChI=1S/C26H23F3N8O/c27-18-2-1-3-19(28)23(18)15-8-16-21(13-33-24(16)32-10-15)35-26(38)17-11-34-37-7-5-22(36-25(17)37)31-9-14-4-6-30-12-20(14)29/h1-3,5,7-8,10-11,13-14,20,30H,4,6,9,12H2,(H,31,36)(H,32,33)(H,35,38)/t14-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434664 (CHEMBL2387473) Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2n1 Show InChI InChI=1S/C26H24F2N8O/c27-17-2-1-3-18(28)23(17)19-4-5-20-24(33-19)21(14-30-20)34-26(37)16-13-32-36-11-8-22(35-25(16)36)31-12-15-6-9-29-10-7-15/h1-5,8,11,13-15,29-30H,6-7,9-10,12H2,(H,31,35)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434662 (CHEMBL2387475) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(OCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H23F2N7O2/c27-19-2-1-3-20(28)23(19)16-10-17-21(13-31-24(17)30-11-16)33-26(36)18-12-32-35-9-6-22(34-25(18)35)37-14-15-4-7-29-8-5-15/h1-3,6,9-13,15,29H,4-5,7-8,14H2,(H,30,31)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029464 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-4'-fluoro-2-hydr...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C34H29FO9/c1-2-19-16-25(20-4-7-22(35)8-5-20)27(36)18-30(19)43-15-3-14-42-28-12-9-24-32(39)26-17-21(34(40)41)6-11-29(26)44-33(24)23(28)10-13-31(37)38/h4-9,11-12,16-18,36H,2-3,10,13-15H2,1H3,(H,37,38)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434650 (CHEMBL2387469) Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCCc3ccccc3)nc12 Show InChI InChI=1S/C22H19N7O/c30-22(27-18-14-25-20-16(18)7-4-10-24-20)17-13-26-29-12-9-19(28-21(17)29)23-11-8-15-5-2-1-3-6-15/h1-7,9-10,12-14H,8,11H2,(H,23,28)(H,24,25)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434651 (CHEMBL2387468) Show SMILES O=C(Nc1c[nH]c2ncccc12)c1c[nH]n2c1nc(Cc1ccc(cc1)C#N)cc2=O Show InChI InChI=1S/C22H15N7O2/c23-10-14-5-3-13(4-6-14)8-15-9-19(30)29-21(27-15)17(11-26-29)22(31)28-18-12-25-20-16(18)2-1-7-24-20/h1-7,9,11-12,26H,8H2,(H,24,25)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434667 (CHEMBL2387470) Show SMILES O=C(Nc1c[nH]c2ncccc12)c1cnn2ccc(NCC3CCNCC3)nc12 Show InChI InChI=1S/C20H22N8O/c29-20(26-16-12-24-18-14(16)2-1-6-22-18)15-11-25-28-9-5-17(27-19(15)28)23-10-13-3-7-21-8-4-13/h1-2,5-6,9,11-13,21H,3-4,7-8,10H2,(H,22,24)(H,23,27)(H,26,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434660 (CHEMBL2387477) Show SMILES F[C@@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434665 (CHEMBL2387472) Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C27H25F2N7O/c28-20-2-1-3-21(29)25(20)17-4-5-22-18(12-17)23(15-31-22)34-27(37)19-14-33-36-11-8-24(35-26(19)36)32-13-16-6-9-30-10-7-16/h1-5,8,11-12,14-16,30-31H,6-7,9-10,13H2,(H,32,35)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434659 (CHEMBL2387478) Show SMILES F[C@H]1CNCC[C@@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434662 (CHEMBL2387475) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(OCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H23F2N7O2/c27-19-2-1-3-20(28)23(19)16-10-17-21(13-31-24(17)30-11-16)33-26(36)18-12-32-35-9-6-22(34-25(18)35)37-14-15-4-7-29-8-5-15/h1-3,6,9-13,15,29H,4-5,7-8,14H2,(H,30,31)(H,33,36)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50588316 (CHEMBL5170657) Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(Cl)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(52.86,-13.07,;51.52,-12.3,;50.19,-13.08,;50.2,-14.63,;48.85,-15.4,;47.52,-14.63,;47.52,-13.08,;46.19,-12.31,;44.85,-13.08,;48.85,-12.31,;48.78,-9.76,;50.12,-9,;51.45,-9.76,;50.11,-7.46,;51.44,-6.68,;51.44,-5.14,;52.78,-7.45,;52.94,-8.98,;54.45,-9.29,;55.22,-7.96,;54.18,-6.81,;56.75,-7.79,;57.36,-6.38,;58.88,-6.21,;59.8,-7.46,;61.34,-7.3,;59.18,-8.87,;57.65,-9.04,;57.03,-10.45,;48.77,-6.69,;48.76,-5.15,;47.44,-7.47,;47.45,-9.01,;46.12,-9.79,;44.71,-9.16,;43.69,-10.32,;44.47,-11.65,;43.86,-13.06,;45.98,-11.32,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01504 BindingDB Entry DOI: 10.7270/Q21V5JX5
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM135600 (US8846000, 1-16) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(c3C2=O)-c2ccncc2)nc2ccccc2c1=O Show InChI InChI=1S/C30H22N4O4/c1-38-21-11-9-20(10-12-21)34-26(32-25-8-3-2-5-23(25)29(34)36)15-18-33-28(35)24-7-4-6-22(27(24)30(33)37)19-13-16-31-17-14-19/h2-14,16-17H,15,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem Lett 25: 4893-8 (2015) Article DOI: 10.1016/j.bmcl.2015.05.080 BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50434661 (CHEMBL2387476) Show SMILES F[C@H]1CNCC[C@H]1CNc1ccn2ncc(C(=O)Nc3c[nH]c4ncccc34)c2n1 |r| Show InChI InChI=1S/C20H21FN8O/c21-15-10-22-6-3-12(15)8-24-17-4-7-29-19(28-17)14(9-26-29)20(30)27-16-11-25-18-13(16)2-1-5-23-18/h1-2,4-5,7,9,11-12,15,22H,3,6,8,10H2,(H,23,25)(H,24,28)(H,27,30)/t12-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50434666 (CHEMBL2387471) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H24F2N8O/c27-19-2-1-3-20(28)23(19)16-10-17-21(14-32-24(17)31-12-16)34-26(37)18-13-33-36-9-6-22(35-25(18)36)30-11-15-4-7-29-8-5-15/h1-3,6,9-10,12-15,29H,4-5,7-8,11H2,(H,30,35)(H,31,32)(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50324510 (1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...) Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human DPP8				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50434656 (CHEMBL2387463) Show SMILES Fc1ccccc1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C26H25FN8O/c27-21-4-2-1-3-18(21)17-11-19-22(15-31-24(19)30-13-17)33-26(36)20-14-32-35-10-7-23(34-25(20)35)29-12-16-5-8-28-9-6-16/h1-4,7,10-11,13-16,28H,5-6,8-9,12H2,(H,29,34)(H,30,31)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434664 (CHEMBL2387473) Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2n1 Show InChI InChI=1S/C26H24F2N8O/c27-17-2-1-3-18(28)23(17)19-4-5-20-24(33-19)21(14-30-20)34-26(37)16-13-32-36-11-8-22(35-25(16)36)31-12-15-6-9-29-10-7-15/h1-5,8,11,13-15,29-30H,6-7,9-10,12H2,(H,31,35)(H,34,37)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50100983 (CHEMBL3326224) Show SMILES Cl.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:4.2,wD:7.9,(22.71,-7.97,;18.3,-7.93,;16.96,-7.16,;16.96,-5.62,;15.63,-7.93,;14.86,-9.26,;13.32,-9.27,;12.55,-7.94,;13.32,-6.61,;14.86,-6.6,;11.79,-9.28,;10.25,-9.27,;9.47,-7.94,;10.25,-6.6,;11.79,-6.61,;12.26,-5.14,;11.03,-4.24,;10.87,-2.7,;9.47,-2.07,;8.21,-2.98,;8.37,-4.51,;9.77,-5.14,;16.43,-9.25,;15.68,-10.6,;16.48,-11.91,;18.02,-11.88,;18.76,-10.52,;17.96,-9.21,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50226814 (CHEMBL6424) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.				J Med Chem 30: 999-1003 (1987) BindingDB Entry DOI: 10.7270/Q2PC34MG
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029477 (5-(2-Carboxy-ethyl)-6-[3-(5-ethyl-2-hydroxy-biphen...) Show SMILES CCc1cc(c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O)-c1ccccc1 Show InChI InChI=1S/C34H30O9/c1-2-20-17-25(21-7-4-3-5-8-21)27(35)19-30(20)42-16-6-15-41-28-13-10-24-32(38)26-18-22(34(39)40)9-12-29(26)43-33(24)23(28)11-14-31(36)37/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50013889 ((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...) Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor				J Med Chem 36: 3982-4 (1994) BindingDB Entry DOI: 10.7270/Q2H1313H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nociceptin receptor (Homo sapiens (Human))	BDBM239934 (US9403767, 117) Show SMILES CN(C)C1(CCC(CC1)(N(C)C(=O)c1cccc(F)c1)c1ccccc1)c1ccccc1 |(-6.07,4.12,;-5.44,2.71,;-3.93,3.03,;-5.44,1.17,;-6.26,-.13,;-5.53,-1.49,;-3.99,-1.55,;-3.18,-.24,;-3.9,1.12,;-3.99,-3.09,;-3.37,-4.49,;-5.33,-3.86,;-6.66,-3.09,;-5.33,-5.4,;-6.66,-6.17,;-6.66,-7.71,;-5.33,-8.48,;-3.99,-7.71,;-2.66,-8.48,;-3.99,-6.17,;-2.72,-2.41,;-1.33,-1.73,;-.06,-2.6,;-.16,-4.13,;-1.55,-4.81,;-2.82,-3.95,;-6.72,2.03,;-8.1,1.36,;-9.38,2.22,;-9.27,3.76,;-7.88,4.43,;-6.61,3.57,)| Show InChI InChI=1S/C28H31FN2O/c1-30(2)27(23-12-6-4-7-13-23)17-19-28(20-18-27,24-14-8-5-9-15-24)31(3)26(32)22-11-10-16-25(29)21-22/h4-16,21H,17-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
GRUENENTHAL GMBH US Patent					Assay Description The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test syste...				US Patent US9403767 (2016) BindingDB Entry DOI: 10.7270/Q23R0RSJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50434665 (CHEMBL2387472) Show SMILES Fc1cccc(F)c1-c1ccc2[nH]cc(NC(=O)c3cnn4ccc(NCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C27H25F2N7O/c28-20-2-1-3-21(29)25(20)17-4-5-22-18(12-17)23(15-31-22)34-27(37)19-14-33-36-11-8-24(35-26(19)36)32-13-16-6-9-30-10-7-16/h1-5,8,11-12,14-16,30-31H,6-7,9-10,13H2,(H,32,35)(H,34,37)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM135614 (US8846000, D-7) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC(C)C)c3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem Lett 25: 4893-8 (2015) Article DOI: 10.1016/j.bmcl.2015.05.080 BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227290 (CHEMBL148457) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(O)c1ccccc1 Show InChI InChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50227298 (CHEMBL147255) Show SMILES CCOC(C)(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1 Show InChI InChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation				J Med Chem 31: 516-20 (1988) BindingDB Entry DOI: 10.7270/Q2ZP48BH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at 5HT2A receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112214 BindingDB Entry DOI: 10.7270/Q2959N63
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50434663 (CHEMBL2387474) Show SMILES Fc1cccc(F)c1-c1cnc2[nH]cc(NC(=O)c3cnn4ccc(CCC5CCNCC5)nc34)c2c1 Show InChI InChI=1S/C27H25F2N7O/c28-21-2-1-3-22(29)24(21)17-12-19-23(15-32-25(19)31-13-17)35-27(37)20-14-33-36-11-8-18(34-26(20)36)5-4-16-6-9-30-10-7-16/h1-3,8,11-16,30H,4-7,9-10H2,(H,31,32)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP				Bioorg Med Chem Lett 23: 3149-53 (2013) Article DOI: 10.1016/j.bmcl.2013.04.020 BindingDB Entry DOI: 10.7270/Q2PC33S9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50113598 ((Z)-3-(3-Carbamimidoyl-4-fluoro-phenyl)-2-fluoro-b...) Show SMILES C\C(=C(/F)C(=O)Nc1ccc(cc1Cl)-c1ccccc1S(N)(=O)=O)c1ccc(F)c(c1)C(N)=N Show InChI InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-18(25)16(10-13)22(27)28)21(26)23(31)30-19-9-7-14(11-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against factor Xa,activity expressed as Ki nM				Bioorg Med Chem Lett 12: 1511-5 (2002) BindingDB Entry DOI: 10.7270/Q2P84B6X
					More data for this Ligand-Target Pair

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