Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'chandrasekaran' and Initial = 'b'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50232182 (CHEMBL4097327) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O/c1-6-17(7-2)20(26)13-19-21(18-10-8-14(3)9-11-18)24-25-16(5)12-15(4)23-22(19)25/h8-12,17H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50087713 ((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)| Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232188 (CHEMBL4070141) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O/c1-5-15(6-2)19(26)12-18-20(16-7-9-17(22)10-8-16)24-25-14(4)11-13(3)23-21(18)25/h7-11,15H,5-6,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232179 (CHEMBL4105538) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(C)cc1Cl |(40.46,-5.09,;39.13,-5.86,;39.13,-7.4,;40.46,-8.17,;41.79,-7.4,;37.79,-8.17,;37.79,-9.71,;36.46,-10.48,;36.46,-12.02,;35.13,-12.8,;37.79,-12.79,;39.12,-12.03,;40.59,-12.5,;41.49,-11.26,;43.03,-11.26,;40.59,-10.01,;39.12,-10.48,;41.06,-13.97,;40.03,-15.1,;40.5,-16.57,;42.01,-16.89,;42.49,-18.35,;43.04,-15.73,;42.56,-14.28,;43.59,-13.12,)| Show InChI InChI=1S/C20H25ClN4/c1-6-15(7-2)23-18-11-13(4)22-20-19(14(5)24-25(18)20)16-9-8-12(3)10-17(16)21/h8-11,15,23H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232182 (CHEMBL4097327) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O/c1-6-17(7-2)20(26)13-19-21(18-10-8-14(3)9-11-18)24-25-16(5)12-15(4)23-22(19)25/h8-12,17H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232178 (CHEMBL4081285) Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1C |(28.23,-5.21,;26.9,-5.98,;26.9,-7.52,;28.23,-8.29,;29.57,-7.52,;25.56,-8.29,;25.56,-9.83,;24.24,-10.61,;24.24,-12.15,;22.9,-12.92,;25.56,-12.91,;26.89,-12.15,;28.36,-12.63,;29.27,-11.38,;30.81,-11.38,;28.36,-10.13,;26.89,-10.61,;28.84,-14.09,;27.8,-15.23,;28.28,-16.69,;29.78,-17.01,;30.26,-18.48,;30.82,-15.86,;30.34,-14.4,;31.36,-13.25,)| Show InChI InChI=1S/C20H25ClN4/c1-6-16(7-2)23-18-11-13(4)22-20-19(14(5)24-25(18)20)17-9-8-15(21)10-12(17)3/h8-11,16,23H,6-7H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116123 (Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyr...) Show SMILES CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(3.45,-.61,;2.12,.16,;.78,-.61,;-.55,.16,;-1.88,-.61,;-3.2,.14,;-4.54,-.63,;-1.88,-2.15,;-3.2,-2.93,;-3.2,-4.47,;-4.53,-5.24,;-1.88,-5.24,;-.54,-4.47,;.93,-4.94,;1.4,-6.41,;.38,-7.54,;.85,-9.01,;2.36,-9.32,;2.82,-10.79,;3.38,-8.16,;2.91,-6.71,;3.92,-5.57,;1.85,-3.69,;3.38,-3.69,;.93,-2.44,;-.54,-2.92,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-26(6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-9-8-13(20)11-15(14)21/h8-9,11H,5-7,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116095 (CHEMBL293228 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(.02,4.59,;-1.31,3.8,;-1.3,2.26,;-2.64,1.49,;-3.97,2.26,;-3.98,3.8,;-5.31,4.57,;-2.63,-.05,;-3.96,-.82,;-3.96,-2.36,;-5.3,-3.13,;-2.63,-3.13,;-1.3,-2.36,;.17,-2.85,;.66,-4.32,;-.37,-5.44,;.1,-6.91,;1.61,-7.24,;2.08,-8.7,;2.64,-6.07,;2.15,-4.63,;3.18,-3.48,;1.1,-1.59,;2.64,-1.59,;.17,-.33,;-1.3,-.82,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-26(10-6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-8-7-13(20)11-15(14)21/h7-8,11H,5-6,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232191 (CHEMBL4089611) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232188 (CHEMBL4070141) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClN3O/c1-5-15(6-2)19(26)12-18-20(16-7-9-17(22)10-8-16)24-25-14(4)11-13(3)23-21(18)25/h7-11,15H,5-6,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232191 (CHEMBL4089611) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232201 (CHEMBL4099753) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-17(3)15-23(28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116093 (CHEMBL304335 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(2.41,-.08,;1.07,-.85,;-.26,-.08,;-1.6,-.85,;-2.93,-.09,;-4.25,-.86,;-1.58,-2.38,;-2.91,-3.17,;-2.91,-4.7,;-4.25,-5.47,;-1.58,-5.47,;-.25,-4.7,;1.22,-5.18,;1.7,-6.64,;.66,-7.78,;1.14,-9.24,;2.64,-9.55,;3.12,-11.02,;3.66,-8.39,;3.2,-6.94,;4.2,-5.8,;2.13,-3.92,;3.66,-3.92,;1.22,-2.68,;-.25,-3.15,)| Show InChI InChI=1S/C18H21Cl2N5/c1-5-9-25(6-2)18-16-15(21-11(3)22-18)17(24(4)23-16)13-8-7-12(19)10-14(13)20/h7-8,10H,5-6,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116118 (CHEMBL304272 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-7.47,-.08,;-6.12,-.85,;-4.79,-1.61,;-3.46,-.84,;-2.14,-1.59,;-.79,-.82,;.54,-1.59,;1.87,-.82,;3.19,-.05,;-2.12,-3.13,;-3.45,-3.91,;-3.45,-5.45,;-4.79,-6.22,;-2.12,-6.22,;-.78,-5.45,;.68,-5.92,;1.16,-7.39,;.12,-8.53,;.61,-9.99,;2.1,-10.3,;2.59,-11.77,;3.13,-9.16,;2.66,-7.7,;3.68,-6.55,;1.59,-4.67,;3.13,-4.67,;.68,-3.42,;-.78,-3.9,)| Show InChI InChI=1S/C19H23Cl2N5O2/c1-12-22-16-17(19(23-12)26(7-9-27-3)8-10-28-4)24-25(2)18(16)14-6-5-13(20)11-15(14)21/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232190 (CHEMBL4061482) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-16(7-2)20(26)13-19-21(17-8-10-18(27-5)11-9-17)24-25-15(4)12-14(3)23-22(19)25/h8-12,16H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232201 (CHEMBL4099753) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(nc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-17(3)15-23(28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50232190 (CHEMBL4061482) Show SMILES CCC(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H27N3O2/c1-6-16(7-2)20(26)13-19-21(17-8-10-18(27-5)11-9-17)24-25-15(4)12-14(3)23-22(19)25/h8-12,16H,6-7,13H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50232183 (CHEMBL4097805) Show SMILES CCCCN(CC)c1cc(C)nc2c(c(CCCC)nn12)-c1ccc(Cl)cc1Cl |(7.21,-2.04,;7.21,-3.58,;8.54,-4.35,;8.54,-5.89,;9.88,-6.66,;11.21,-5.89,;11.21,-4.35,;9.88,-8.2,;8.55,-8.98,;8.55,-10.52,;7.22,-11.29,;9.88,-11.28,;11.21,-10.52,;12.67,-10.99,;13.58,-9.75,;15.12,-9.75,;15.89,-11.08,;17.43,-11.08,;18.2,-12.41,;12.67,-8.5,;11.21,-8.98,;13.15,-12.46,;12.11,-13.59,;12.59,-15.06,;14.1,-15.38,;14.57,-16.84,;15.13,-14.23,;14.65,-12.77,;15.67,-11.62,)| Show InChI InChI=1S/C23H30Cl2N4/c1-5-8-10-20-22(18-12-11-17(24)15-19(18)25)23-26-16(4)14-21(29(23)27-20)28(7-3)13-9-6-2/h11-12,14-15H,5-10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [125I]o-CRF from recombinant human CRF1 receptor expressed in CHO cells				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (Rattus norvegicus)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha3 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (Rattus norvegicus)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha3 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50232200 (CHEMBL4081736) Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50463302 (CHEMBL4239814) Show SMILES CN(C)CCC[C@@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1 |r,c:9| Show InChI InChI=1S/C23H28FN3O/c1-17-11-12-20(24)21(15-17)27-16-23(13-8-14-26(3)4,22(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14,16H2,1-4H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal (UKZN) Curated by ChEMBL					Assay Description Inhibition EG5 (unknown origin)				Bioorg Med Chem Lett 28: 2930-2938 (2018) Article DOI: 10.1016/j.bmcl.2018.07.007 BindingDB Entry DOI: 10.7270/Q2542R80
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5413 (1-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1 Show InChI InChI=1S/C23H24N4OS/c1-2-9-26(10-3-1)11-12-28-21-6-4-18(5-7-21)20-14-24-23-22(15-25-27(23)16-20)19-8-13-29-17-19/h4-8,13-17H,1-3,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5409 (4-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1 Show InChI InChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50431893 (ARRY-520 | CHEMBL2347655) Show SMILES CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:7| Show InChI InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal (UKZN) Curated by ChEMBL					Assay Description Inhibition EG5 (unknown origin)				Bioorg Med Chem Lett 28: 2930-2938 (2018) Article DOI: 10.1016/j.bmcl.2018.07.007 BindingDB Entry DOI: 10.7270/Q2542R80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50431893 (ARRY-520 | CHEMBL2347655) Show SMILES CON(C)C(=O)N1N=C(S[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:7| Show InChI InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated Eg5 ATPase activity in human HL-60 cells after 48 hrs by Western blot analysis				Eur J Med Chem 156: 641-651 (2018) Article DOI: 10.1016/j.ejmech.2018.07.006 BindingDB Entry DOI: 10.7270/Q2445Q52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50463316 (KF 89617 | KF-89617 | Kf89617 | LY 2523355 | LY-25...) Show SMILES CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 |r,c:19| Show InChI InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal (UKZN) Curated by ChEMBL					Assay Description Inhibition EG5 (unknown origin)				Bioorg Med Chem Lett 28: 2930-2938 (2018) Article DOI: 10.1016/j.bmcl.2018.07.007 BindingDB Entry DOI: 10.7270/Q2542R80
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50454186 (CHEMBL4215914) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2N)c2[nH]nc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H27N7O/c1-4-13(10-27)22-19-23-16-15(11(2)3)25-26-17(16)18(24-19)21-9-12-7-5-6-8-14(12)20/h5-8,11,13,27H,4,9-10,20H2,1-3H3,(H,25,26)(H2,21,22,23,24)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (M1 to L298 residues)/CyclinE1 (M1 to A395 residues) expressed in baculovirus ...				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50102311 (3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-6...) Show SMILES Cc1cnc2c(c(nn2c1C)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN3O2S/c1-13-12-23-21-19(15-4-8-17(22)9-5-15)20(24-25(21)14(13)2)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of human 143.98.2 cell derived COX2 assessed as reduction in PGE2 level using arachidonic acid as substrate pretreated for 15 mins followe...				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50454183 (CHEMBL4204229) Show SMILES CC[C@@H](CO)Nc1nc(NCc2ccccc2N)c2[nH]nc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H27N7O/c1-4-13(10-27)22-19-23-16-15(11(2)3)25-26-17(16)18(24-19)21-9-12-7-5-6-8-14(12)20/h5-8,11,13,27H,4,9-10,20H2,1-3H3,(H,25,26)(H2,21,22,23,24)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (M1 to L298 residues)/CyclinE1 (M1 to A395 residues) expressed in baculovirus ...				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50454185 (CHEMBL4215776) Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2N)c2[nH]nc(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-10(2)14-15-16(25-24-14)17(23-18(22-15)21-8-11(3)26)20-9-12-6-4-5-7-13(12)19/h4-7,10-11,26H,8-9,19H2,1-3H3,(H,24,25)(H2,20,21,22,23)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (M1 to L298 residues)/CyclinE1 (M1 to A395 residues) expressed in baculovirus ...				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5413 (1-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1 Show InChI InChI=1S/C23H24N4OS/c1-2-9-26(10-3-1)11-12-28-21-6-4-18(5-7-21)20-14-24-23-22(15-25-27(23)16-20)19-8-13-29-17-19/h4-8,13-17H,1-3,9-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate by ECMA				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50232192 (CHEMBL4082186) Show SMILES COc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccsc1 Show InChI InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)16-9-19-20-10-14(8-18-17(16)20)13-6-7-22-11-13/h2-11H,1H3	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	19	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5409 (4-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1 Show InChI InChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate by ECMA				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50232184 (CHEMBL4081227) Show SMILES c1cc(cs1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C15H10N4S/c1-4-16-5-2-11(1)14-8-18-19-9-13(7-17-15(14)19)12-3-6-20-10-12/h1-10H	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	24	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50463316 (KF 89617 | KF-89617 | Kf89617 | LY 2523355 | LY-25...) Show SMILES CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1 |r,c:19| Show InChI InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of microtubule-stimulated human Eg5 ATPase activity				Eur J Med Chem 156: 641-651 (2018) Article DOI: 10.1016/j.ejmech.2018.07.006 BindingDB Entry DOI: 10.7270/Q2445Q52
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5410 (4-(2-(4-(3-phenylpyrazolo[1,5- a]pyrimidin-6-yl)ph...) Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate by ECMA				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5430 (4-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-y...) Show SMILES COc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccncc1 Show InChI InChI=1S/C18H14N4O/c1-23-16-4-2-14(3-5-16)17-11-21-22-12-15(10-20-18(17)22)13-6-8-19-9-7-13/h2-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50025724 (CHEMBL175437 | N-(2-Dimethylamino-ethyl)-4-(1,3-di...) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1nc2c(C)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H22N6O3S/c1-11-14-15(23(4)21-11)17(24)20-16(19-14)12-5-7-13(8-6-12)27(25,26)18-9-10-22(2)3/h5-8,18H,9-10H2,1-4H3,(H,19,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of N6-[3H]Cyclohexyladenosine from adenosine A1 receptor in rat brain membranes after 60 mins				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5417 (4-[6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]p...) Show SMILES c1nn2cc(cnc2c1-c1ccncc1)-c1ccncc1 Show InChI InChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate				Eur J Med Chem 126: 298-352 (2017) Article DOI: 10.1016/j.ejmech.2016.11.019 BindingDB Entry DOI: 10.7270/Q2S184RN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50025699 (5-(2-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazo...) Show SMILES Cc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1N Show InChI InChI=1S/C13H13N5O/c1-7-10-11(18(2)17-7)13(19)16-12(15-10)8-5-3-4-6-9(8)14/h3-6H,14H2,1-2H3,(H,15,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Displacement of N6-[3H]Cyclohexyladenosine from adenosine A1 receptor in rat brain membranes after 60 mins				Bioorg Med Chem 26: 309-339 (2018) Article DOI: 10.1016/j.bmc.2017.10.012 BindingDB Entry DOI: 10.7270/Q25141T6
					More data for this Ligand-Target Pair

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