Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50000082   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240271 (CHEMBL4101954) Show SMILES COc1cc2N3CCNN=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:9| Show InChI InChI=1S/C25H28ClN7O3S/c1-15(2)37(34,35)22-7-5-4-6-18(22)29-24-17(26)14-27-25(31-24)30-19-12-16-8-9-23-32-28-10-11-33(23)20(16)13-21(19)36-3/h4-7,12-15,28H,8-11H2,1-3H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240270 (CHEMBL4099922) Show SMILES COc1cc2N3CCN(C)N=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:10| Show InChI InChI=1S/C26H30ClN7O3S/c1-16(2)38(35,36)23-8-6-5-7-19(23)29-25-18(27)15-28-26(31-25)30-20-13-17-9-10-24-32-33(3)11-12-34(24)21(17)14-22(20)37-4/h5-8,13-16H,9-12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240274 (CHEMBL4092174) Show SMILES COc1cc2C3CNCCN3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H31ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-20(24)30-25-19(27)14-29-26(32-25)31-21-12-17-8-10-33-11-9-28-15-22(33)18(17)13-23(21)36-3/h4-7,12-14,16,22,28H,8-11,15H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240274 (CHEMBL4092174) Show SMILES COc1cc2C3CNCCN3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H31ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-20(24)30-25-19(27)14-29-26(32-25)31-21-12-17-8-10-33-11-9-28-15-22(33)18(17)13-23(21)36-3/h4-7,12-14,16,22,28H,8-11,15H2,1-3H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) Show SMILES COc1cc2CCN3C(CNCC3=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H29ClN6O4S/c1-15(2)38(35,36)23-7-5-4-6-19(23)30-25-18(27)12-29-26(32-25)31-20-11-17-16(10-22(20)37-3)8-9-33-21(17)13-28-14-24(33)34/h4-7,10-12,15,21,28H,8-9,13-14H2,1-3H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM244025 (9-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)aminop...) Show SMILES COc1cc2C3CNCC(=O)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H29ClN6O4S/c1-15(2)38(35,36)23-7-5-4-6-19(23)30-25-18(27)12-29-26(32-25)31-20-10-16-8-9-33-21(13-28-14-24(33)34)17(16)11-22(20)37-3/h4-7,10-12,15,21,28H,8-9,13-14H2,1-3H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM244025 (9-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)aminop...) Show SMILES COc1cc2C3CNCC(=O)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H29ClN6O4S/c1-15(2)38(35,36)23-7-5-4-6-19(23)30-25-18(27)12-29-26(32-25)31-20-10-16-8-9-33-21(13-28-14-24(33)34)17(16)11-22(20)37-3/h4-7,10-12,15,21,28H,8-9,13-14H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM244039 (10-((5-chloro-4-(2-(isopropylsulfonyl)phenyl)amino...) Show SMILES COc1cc2CCN3C(CNCC3=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H29ClN6O4S/c1-15(2)38(35,36)23-7-5-4-6-19(23)30-25-18(27)12-29-26(32-25)31-20-11-17-16(10-22(20)37-3)8-9-33-21(17)13-28-14-24(33)34/h4-7,10-12,15,21,28H,8-9,13-14H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240276 (CHEMBL4083964) Show SMILES COc1cc2C3CN=C(N)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |t:7| Show InChI InChI=1S/C25H28ClN7O3S/c1-14(2)37(34,35)22-7-5-4-6-18(22)30-23-17(26)12-29-25(32-23)31-19-10-15-8-9-33-20(13-28-24(33)27)16(15)11-21(19)36-3/h4-7,10-12,14,20H,8-9,13H2,1-3H3,(H2,27,28)(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240270 (CHEMBL4099922) Show SMILES COc1cc2N3CCN(C)N=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:10| Show InChI InChI=1S/C26H30ClN7O3S/c1-16(2)38(35,36)23-8-6-5-7-19(23)29-25-18(27)15-28-26(31-25)30-20-13-17-9-10-24-32-33(3)11-12-34(24)21(17)14-22(20)37-4/h5-8,13-16H,9-12H2,1-4H3,(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240272 (CHEMBL4063965) Show SMILES COc1cc2-c3c(C)n(nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO Show InChI InChI=1S/C28H29ClN6O5S/c1-15(2)41(38,39)24-8-6-5-7-20(24)31-27-19(29)13-30-28(33-27)32-22-11-17-9-10-21-26(18(17)12-23(22)40-4)16(3)35(34-21)25(37)14-36/h5-8,11-13,15,36H,9-10,14H2,1-4H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240271 (CHEMBL4101954) Show SMILES COc1cc2N3CCNN=C3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:9| Show InChI InChI=1S/C25H28ClN7O3S/c1-15(2)37(34,35)22-7-5-4-6-18(22)29-24-17(26)14-27-25(31-24)30-19-12-16-8-9-23-32-28-10-11-33(23)20(16)13-21(19)36-3/h4-7,12-15,28H,8-11H2,1-3H3,(H2,27,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM244040 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(9-me...) Show SMILES COc1cc2CCN3CCNCC3c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H31ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-20(24)30-25-19(27)14-29-26(32-25)31-21-13-18-17(12-23(21)36-3)8-10-33-11-9-28-15-22(18)33/h4-7,12-14,16,22,28H,8-11,15H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM244040 (5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(9-me...) Show SMILES COc1cc2CCN3CCNCC3c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H31ClN6O3S/c1-16(2)37(34,35)24-7-5-4-6-20(24)30-25-19(27)14-29-26(32-25)31-21-13-18-17(12-23(21)36-3)8-10-33-11-9-28-15-22(18)33/h4-7,12-14,16,22,28H,8-11,15H2,1-3H3,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240272 (CHEMBL4063965) Show SMILES COc1cc2-c3c(C)n(nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO Show InChI InChI=1S/C28H29ClN6O5S/c1-15(2)41(38,39)24-8-6-5-7-20(24)31-27-19(29)13-30-28(33-27)32-22-11-17-9-10-21-26(18(17)12-23(22)40-4)16(3)35(34-21)25(37)14-36/h5-8,11-13,15,36H,9-10,14H2,1-4H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240276 (CHEMBL4083964) Show SMILES COc1cc2C3CN=C(N)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |t:7| Show InChI InChI=1S/C25H28ClN7O3S/c1-14(2)37(34,35)22-7-5-4-6-18(22)30-23-17(26)12-29-25(32-23)31-19-10-15-8-9-33-20(13-28-24(33)27)16(15)11-21(19)36-3/h4-7,10-12,14,20H,8-9,13H2,1-3H3,(H2,27,28)(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240273 (CHEMBL4091729) Show SMILES COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H27ClN6O3S/c1-14(2)37(34,35)23-8-6-5-7-19(23)29-25-18(27)13-28-26(31-25)30-21-11-16-9-10-20-24(15(3)32-33-20)17(16)12-22(21)36-4/h5-8,11-14H,9-10H2,1-4H3,(H,32,33)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240273 (CHEMBL4091729) Show SMILES COc1cc2-c3c(C)[nH]nc3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H27ClN6O3S/c1-14(2)37(34,35)23-8-6-5-7-19(23)29-25-18(27)13-28-26(31-25)30-21-11-16-9-10-20-24(15(3)32-33-20)17(16)12-22(21)36-4/h5-8,11-14H,9-10H2,1-4H3,(H,32,33)(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240269 (CHEMBL4062738) Show SMILES COc1cc2c3ccccc3n(OC)c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H26ClN5O5S/c1-16(2)40(36,37)25-12-8-6-10-21(25)31-26-20(29)15-30-28(33-26)32-22-13-19-18(14-24(22)38-3)17-9-5-7-11-23(17)34(39-4)27(19)35/h5-16H,1-4H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240275 (CHEMBL4074115) Show SMILES COc1cc2c3ccccc3[nH]c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H24ClN5O4S/c1-15(2)38(35,36)24-11-7-6-10-21(24)30-25-19(28)14-29-27(33-25)32-22-12-18-17(13-23(22)37-3)16-8-4-5-9-20(16)31-26(18)34/h4-15H,1-3H3,(H,31,34)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240269 (CHEMBL4062738) Show SMILES COc1cc2c3ccccc3n(OC)c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H26ClN5O5S/c1-16(2)40(36,37)25-12-8-6-10-21(25)31-26-20(29)15-30-28(33-26)32-22-13-19-18(14-24(22)38-3)17-9-5-7-11-23(17)34(39-4)27(19)35/h5-16H,1-4H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240275 (CHEMBL4074115) Show SMILES COc1cc2c3ccccc3[nH]c(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H24ClN5O4S/c1-15(2)38(35,36)24-11-7-6-10-21(24)30-25-19(28)14-29-27(33-25)32-22-12-18-17(13-23(22)37-3)16-8-4-5-9-20(16)31-26(18)34/h4-15H,1-3H3,(H,31,34)(H2,29,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50240268 (CHEMBL4100875) Show SMILES COc1cc2c(cnc3ccccc23)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H24ClN5O3S/c1-16(2)37(34,35)25-11-7-6-10-22(25)31-26-20(28)15-30-27(33-26)32-23-12-17-14-29-21-9-5-4-8-18(21)19(17)13-24(23)36-3/h4-16H,1-3H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50240268 (CHEMBL4100875) Show SMILES COc1cc2c(cnc3ccccc23)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H24ClN5O3S/c1-16(2)37(34,35)25-11-7-6-10-22(25)31-26-20(28)15-30-27(33-26)32-23-12-17-14-29-21-9-5-4-8-18(21)19(17)13-24(23)36-3/h4-16H,1-3H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science& Technology Curated by ChEMBL					Assay Description In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.				Bioorg Med Chem Lett 27: 2185-2191 (2017) Article DOI: 10.1016/j.bmcl.2017.03.073 BindingDB Entry DOI: 10.7270/Q2DR2XNC
					More data for this Ligand-Target Pair