Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'lao' and Initial = 'k'   

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
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36603 (4'',6''-Dideoxybalanol, 6) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O8/c31-19-12-10-17(11-13-19)26(34)30-21-15-29-14-2-5-23(21)38-28(37)18-8-6-16(7-9-18)25(33)24-20(27(35)36)3-1-4-22(24)32/h1,3-4,6-13,21,23,29,31-32H,2,5,14-15H2,(H,30,34)(H,35,36)/t21-,23-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	-49.1	5.5	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36604 (5'-Deoxybalanol, 7) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O9/c31-19-9-4-8-17(27(36)37)23(19)25(34)24-20(32)12-16(13-21(24)33)28(38)39-22-10-5-11-29-14-18(22)30-26(35)15-6-2-1-3-7-15/h1-4,6-9,12-13,18,22,29,31-33H,5,10-11,14H2,(H,30,35)(H,36,37)/t18-,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	-49.1	5.70	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) Show SMILES OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O9/c31-17-9-7-15(8-10-17)26(35)30-20-14-29-11-3-6-23(20)39-28(38)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-19(18)27(36)37/h1-2,4-5,7-10,12-13,20,23,29,31-33H,3,6,11,14H2,(H,30,35)(H,36,37)/t20-,23-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	-48.8	6.30	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM3149 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.70	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM3149 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.30	-48.0	n/a	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36602 (14''-Decarboxybalanol hydrochloride, 5) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O8/c30-17-9-7-15(8-10-17)26(35)29-19-14-28-11-3-6-23(19)37-27(36)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-20(18)31/h1-2,4-5,7-10,12-13,19,23,28,30-33H,3,6,11,14H2,(H,29,35)/p+1/t19-,23-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-46.2	18	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	19	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36606 (H-89, 10) Show SMILES Brc1ccc(\C=C\CNCCNOS(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-26-27(25)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36605 (KT5720, 9) Show SMILES CCCCCCOC(=O)[C@@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23?,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36604 (5'-Deoxybalanol, 7) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O9/c31-19-9-4-8-17(27(36)37)23(19)25(34)24-20(32)12-16(13-21(24)33)28(38)39-22-10-5-11-29-14-18(22)30-26(35)15-6-2-1-3-7-15/h1-4,6-9,12-13,18,22,29,31-33H,5,10-11,14H2,(H,30,35)(H,36,37)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	69	-41.6	95	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36603 (4'',6''-Dideoxybalanol, 6) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O8/c31-19-12-10-17(11-13-19)26(34)30-21-15-29-14-2-5-23(21)38-28(37)18-8-6-16(7-9-18)25(33)24-20(27(35)36)3-1-4-22(24)32/h1,3-4,6-13,21,23,29,31-32H,2,5,14-15H2,(H,30,34)(H,35,36)/t21-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	-41.2	111	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM3207 (10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...) Show SMILES OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O9/c31-17-9-7-15(8-10-17)26(35)30-20-14-29-11-3-6-23(20)39-28(38)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-19(18)27(36)37/h1-2,4-5,7-10,12-13,20,23,29,31-33H,3,6,11,14H2,(H,30,35)(H,36,37)/t20-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	-35.9	834	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36605 (KT5720, 9) Show SMILES CCCCCCOC(=O)[C@@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23?,31-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	>-33.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36602 (14''-Decarboxybalanol hydrochloride, 5) Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r| Show InChI InChI=1S/C27H26N2O8/c30-17-9-7-15(8-10-17)26(35)29-19-14-28-11-3-6-23(19)37-27(36)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-20(18)31/h1-2,4-5,7-10,12-13,19,23,28,30-33H,3,6,11,14H2,(H,29,35)/p+1/t19-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	-30.8	6.90E+3	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36601 (Hexahydroazepine, 3) Show SMILES O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C13H18N2O3/c16-10-5-3-9(4-6-10)13(18)15-11-8-14-7-1-2-12(11)17/h3-6,11-12,14,16-17H,1-2,7-8H2,(H,15,18)/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (Oryctolagus cuniculus (Rabbit))	BDBM36600 (Benzophenone fragment, 2) Show SMILES COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C16H12O8/c1-24-16(23)7-5-10(18)13(11(19)6-7)14(20)12-8(15(21)22)3-2-4-9(12)17/h2-6,17-19H,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-29.0	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36606 (H-89, 10) Show SMILES Brc1ccc(\C=C\CNCCNOS(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-26-27(25)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.17E+4	-26.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36600 (Benzophenone fragment, 2) Show SMILES COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 Show InChI InChI=1S/C16H12O8/c1-24-16(23)7-5-10(18)13(11(19)6-7)14(20)12-8(15(21)22)3-2-4-9(12)17/h2-6,17-19H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	>-17.4	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Protein kinase C beta type (Rattus norvegicus (rat))	BDBM36601 (Hexahydroazepine, 3) Show SMILES O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C13H18N2O3/c16-10-5-3-9(4-6-10)13(18)15-11-8-14-7-1-2-12(11)17/h3-6,11-12,14,16-17H,1-2,7-8H2,(H,15,18)/t11-,12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+6	>-17.4	n/a	n/a	n/a	n/a	n/a	n/a	30
University of California, San Diego					Assay Description Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.				Chem Biol 2: 601-8 (1995) Article DOI: 10.1016/1074-5521(95)90124-8 BindingDB Entry DOI: 10.7270/Q2HQ3X8D
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against binding to FKBP12				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against FKBP12 receptor				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50172395 ((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...) Show SMILES CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@H](CCc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)O[C@H]1C Show InChI InChI=1S/C34H48N4O10/c1-21-13-15-24-18-27(46-4)22(2)47-29(40)20-37(3)28(39)19-35-31(42)25(16-14-23-10-6-5-7-11-23)36-32(43)26-12-8-9-17-38(26)33(44)30(41)34(21,45)48-24/h5-7,10-11,21-22,24-27,45H,8-9,12-20H2,1-4H3,(H,35,42)(H,36,43)/t21-,22+,24+,25-,26+,27+,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against binding to FKBP12				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50172395 ((1R,9S,12R,21S,22S,24S,27R)-1-Hydroxy-22-methoxy-1...) Show SMILES CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@H](CCc2ccccc2)C(=O)NCC(=O)N(C)CC(=O)O[C@H]1C Show InChI InChI=1S/C34H48N4O10/c1-21-13-15-24-18-27(46-4)22(2)47-29(40)20-37(3)28(39)19-35-31(42)25(16-14-23-10-6-5-7-11-23)36-32(43)26-12-8-9-17-38(26)33(44)30(41)34(21,45)48-24/h5-7,10-11,21-22,24-27,45H,8-9,12-20H2,1-4H3,(H,35,42)(H,36,43)/t21-,22+,24+,25-,26+,27+,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against FKBP12 receptor				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50172384 (3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...) Show SMILES [#7]\[#6](-[#7-])=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1-[#7+](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7]S(=O)(=O)c1c(-[#8])ccc2ccccc12)-[#6](-[#8])=O Show InChI InChI=1S/C25H27N7O8S/c26-25(27)31-11-9-30(10-12-31)19-7-5-16(13-20(19)32(37)38)23(34)28-14-18(24(35)36)29-41(39,40)22-17-4-2-1-3-15(17)6-8-21(22)33/h1-8,13,18,29H,9-12,14H2,(H6,26,27,28,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against integrin alpha-2b beta3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50172384 (3-[4-(4-Carbamimidoyl-piperazin-1-yl)-3-nitro-benz...) Show SMILES [#7]\[#6](-[#7-])=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1-[#7+](-[#8-])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7]S(=O)(=O)c1c(-[#8])ccc2ccccc12)-[#6](-[#8])=O Show InChI InChI=1S/C25H27N7O8S/c26-25(27)31-11-9-30(10-12-31)19-7-5-16(13-20(19)32(37)38)23(34)28-14-18(24(35)36)29-41(39,40)22-17-4-2-1-3-15(17)6-8-21(22)33/h1-8,13,18,29H,9-12,14H2,(H6,26,27,28,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against alpha IIb beta-3 receptor				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50269785 (CHEMBL4064645) Show SMILES [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H34N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China; Department of Medicinal Chemistry, School of Pharmacy, China Pharma Curated by ChEMBL					Assay Description Inhibition of recombinant human 5alpha-reductase type2 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs fo...				Bioorg Med Chem Lett 27: 4212-4217 (2017) Article DOI: 10.1016/j.bmcl.2017.05.078 BindingDB Entry DOI: 10.7270/Q2R78HQH
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Homo sapiens (Human))	BDBM50172364 (2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15.0	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against synaptosomes using [3H]PbTx-3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Homo sapiens (Human))	BDBM50172364 (2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15.0	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against synaptosome using [3H]PbTx-3				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit NDUFA4 (Homo sapiens (Human))	BDBM50172374 (2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...) Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit NDUFA4 (Homo sapiens (Human))	BDBM50172374 (2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...) Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH-ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway 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 PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome c oxidase subunit NDUFA4 (Homo sapiens (Human))	BDBM50172381 (2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...) Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17| Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit NDUFA4 (Homo sapiens (Human))	BDBM50172381 (2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...) Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17| Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH-ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50462323 (CHEMBL4245780) Show SMILES CCN(CC)CCOc1ccc(Nc2nc(nc(Cl)c2-c2ccccc2)-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C29H31ClN4O2/c1-4-34(5-2)19-20-36-25-17-13-23(14-18-25)31-29-26(21-9-7-6-8-10-21)27(30)32-28(33-29)22-11-15-24(35-3)16-12-22/h6-18H,4-5,19-20H2,1-3H3,(H,31,32,33)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50462315 (CHEMBL4248225) Show SMILES Oc1ccc(cc1)-c1nc(Cl)c(-c2ccccc2)c(Oc2ccc(OCCN3CCCC3)cc2)n1 Show InChI InChI=1S/C28H26ClN3O3/c29-26-25(20-6-2-1-3-7-20)28(31-27(30-26)21-8-10-22(33)11-9-21)35-24-14-12-23(13-15-24)34-19-18-32-16-4-5-17-32/h1-3,6-15,33H,4-5,16-19H2	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	85	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50188633 (CHEMBL3827045) Show SMILES Oc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCC3)cc2)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C28H24N2O5/c31-18-6-10-22-23(15-18)27(33)25-21-9-5-19(32)16-24(21)28(34)30(26(22)25)17-3-7-20(8-4-17)35-14-13-29-11-1-2-12-29/h3-10,15-16,31-32H,1-2,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by...				Eur J Med Chem 118: 328-39 (2016) Article DOI: 10.1016/j.ejmech.2016.04.029 BindingDB Entry DOI: 10.7270/Q2XP76WP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50462324 (CHEMBL4242446) Show SMILES COc1ccc(cc1)-c1nc(Cl)c(c(Oc2ccc(OCCN(C)C)cc2)n1)-c1ccccc1 Show InChI InChI=1S/C27H26ClN3O3/c1-31(2)17-18-33-22-13-15-23(16-14-22)34-27-24(19-7-5-4-6-8-19)25(28)29-26(30-27)20-9-11-21(32-3)12-10-20/h4-16H,17-18H2,1-3H3	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	101	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50188634 (CHEMBL3828416) Show SMILES CCN(CC)CCOc1ccc(cc1)-n1c2-c3ccc(O)cc3C(=O)c2c2ccc(O)cc2c1=O Show InChI InChI=1S/C28H26N2O5/c1-3-29(4-2)13-14-35-20-9-5-17(6-10-20)30-26-22-12-8-18(31)15-23(22)27(33)25(26)21-11-7-19(32)16-24(21)28(30)34/h5-12,15-16,31-32H,3-4,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by...				Eur J Med Chem 118: 328-39 (2016) Article DOI: 10.1016/j.ejmech.2016.04.029 BindingDB Entry DOI: 10.7270/Q2XP76WP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway 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 PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by...				Eur J Med Chem 118: 328-39 (2016) Article DOI: 10.1016/j.ejmech.2016.04.029 BindingDB Entry DOI: 10.7270/Q2XP76WP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50462305 (CHEMBL4246128) Show SMILES CCN(CC)CCOc1ccc(Nc2cc(Cl)nc(n2)-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C23H27ClN4O2/c1-4-28(5-2)14-15-30-20-12-8-18(9-13-20)25-22-16-21(24)26-23(27-22)17-6-10-19(29-3)11-7-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,26,27)	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	174	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50462322 (CHEMBL4248249) Show SMILES COc1ccc(cc1)-c1nc(Cl)c(c(Nc2ccc(NC(=O)CN3CCCC3)cc2)n1)-c1ccccc1 Show InChI InChI=1S/C29H28ClN5O2/c1-37-24-15-9-21(10-16-24)28-33-27(30)26(20-7-3-2-4-8-20)29(34-28)32-23-13-11-22(12-14-23)31-25(36)19-35-17-5-6-18-35/h2-4,7-16H,5-6,17-19H2,1H3,(H,31,36)(H,32,33,34)	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	203	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay				Eur J Med Chem 150: 783-795 (2018) Article DOI: 10.1016/j.ejmech.2018.03.018 BindingDB Entry DOI: 10.7270/Q2959M6P
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50188632 (CHEMBL3827784) Show SMILES Oc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCCC3)cc2)c(=O)c2cc(O)ccc12 Show InChI InChI=1S/C29H26N2O5/c32-19-7-11-23-24(16-19)28(34)26-22-10-6-20(33)17-25(22)29(35)31(27(23)26)18-4-8-21(9-5-18)36-15-14-30-12-2-1-3-13-30/h4-11,16-17,32-33H,1-3,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by...				Eur J Med Chem 118: 328-39 (2016) Article DOI: 10.1016/j.ejmech.2016.04.029 BindingDB Entry DOI: 10.7270/Q2XP76WP
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50188635 (CHEMBL3827098) Show SMILES CN(C)CCOc1ccc(cc1)-n1c2-c3ccc(O)cc3C(=O)c2c2ccc(O)cc2c1=O Show InChI InChI=1S/C26H22N2O5/c1-27(2)11-12-33-18-7-3-15(4-8-18)28-24-20-10-6-16(29)13-21(20)25(31)23(24)19-9-5-17(30)14-22(19)26(28)32/h3-10,13-14,29-30H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by...				Eur J Med Chem 118: 328-39 (2016) Article DOI: 10.1016/j.ejmech.2016.04.029 BindingDB Entry DOI: 10.7270/Q2XP76WP
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50269785 (CHEMBL4064645) Show SMILES [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H34N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China; Department of Medicinal Chemistry, School of Pharmacy, China Pharma Curated by ChEMBL					Assay Description Inhibition of recombinant human 5alpha-reductase type1 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs fo...				Bioorg Med Chem Lett 27: 4212-4217 (2017) Article DOI: 10.1016/j.bmcl.2017.05.078 BindingDB Entry DOI: 10.7270/Q2R78HQH
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50484273 (CHEMBL1824104) Show SMILES CC1(C)Oc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)cc2C=C1 |c:37| Show InChI InChI=1S/C26H23BrF3NO4S/c1-25(2)13-12-20-14-19(8-10-22(20)34-25)17-31(16-18-6-4-3-5-7-18)36(32,33)24-11-9-21(27)15-23(24)35-26(28,29)30/h3-15H,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	508	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...				Bioorg Med Chem Lett 21: 5528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.06.099 BindingDB Entry DOI: 10.7270/Q2125WH0
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50484271 (CHEMBL1824130) Show SMILES CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:14| Show InChI InChI=1S/C22H26N2O5S/c1-16(2)14-23(30(27,28)20-8-6-19(7-9-20)24(25)26)15-17-5-10-21-18(13-17)11-12-22(3,4)29-21/h5-13,16H,14-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	532	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...				Bioorg Med Chem Lett 21: 5528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.06.099 BindingDB Entry DOI: 10.7270/Q2125WH0
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50396040 (CHEMBL1823895) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccc2OC(C)(C)C=Cc2c1)c1ccccc1 |c:24| Show InChI InChI=1S/C26H27NO5S/c1-26(2)15-14-20-16-19(10-12-23(20)32-26)18-27(21-8-6-5-7-9-21)33(28,29)22-11-13-24(30-3)25(17-22)31-4/h5-17H,18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	593	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...				Bioorg Med Chem Lett 21: 5528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.06.099 BindingDB Entry DOI: 10.7270/Q2125WH0
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50484270 (CHEMBL1824127) Show SMILES CC(C)CN(Cc1ccc2OC(C)(C)C=Cc2c1)S(=O)(=O)c1cccc2ccccc12 |c:14| Show InChI InChI=1S/C26H29NO3S/c1-19(2)17-27(18-20-12-13-24-22(16-20)14-15-26(3,4)30-24)31(28,29)25-11-7-9-21-8-5-6-10-23(21)25/h5-16,19H,17-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...				Bioorg Med Chem Lett 21: 5528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.06.099 BindingDB Entry DOI: 10.7270/Q2125WH0
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50484272 (CHEMBL1824131) Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(C)C)Cc1ccc2OC(C)(C)C=Cc2c1 |c:28| Show InChI InChI=1S/C24H31NO5S/c1-17(2)15-25(31(26,27)20-8-10-22(28-5)23(14-20)29-6)16-18-7-9-21-19(13-18)11-12-24(3,4)30-21/h7-14,17H,15-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition fol...				Bioorg Med Chem Lett 21: 5528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.06.099 BindingDB Entry DOI: 10.7270/Q2125WH0
					More data for this Ligand-Target Pair

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