Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 9985   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500359 (CHEMBL3747611 | US11066363, Compound 13) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn[nH]1 Show InChI InChI=1S/C23H19N5O/c1-4-13-8-16-17(9-15(13)19-11-25-28-27-19)23(2,3)22-20(21(16)29)14-6-5-12(10-24)7-18(14)26-22/h5-9,11,26H,4H2,1-3H3,(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.884	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500360 (CHEMBL3747134 | US11066363, Compound 9) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cc[nH]n1 Show InChI InChI=1S/C24H20N4O/c1-4-14-10-17-18(11-16(14)19-7-8-26-28-19)24(2,3)23-21(22(17)29)15-6-5-13(12-25)9-20(15)27-23/h5-11,27H,4H2,1-3H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.15	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500357 (CHEMBL3746522 | US11066363, Compound 31) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCN(C)C)c1 Show InChI InChI=1S/C28H29N5O/c1-6-18-12-22-23(13-21(18)19-15-30-33(16-19)10-9-32(4)5)28(2,3)27-25(26(22)34)20-8-7-17(14-29)11-24(20)31-27/h7-8,11-13,15-16,31H,6,9-10H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.91	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM504520 (9-ethyl-6,6-dimethyl-11-oxo-8- (pyrimidin-5-yl)-6,...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cncnc1 Show InChI InChI=1S/C25H20N4O/c1-4-15-8-19-20(9-18(15)16-11-27-13-28-12-16)25(2,3)24-22(23(19)30)17-6-5-14(10-26)7-21(17)29-24/h5-9,11-13,29H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.53	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM504519 ((9-ethyl-6,6-dimethyl-11-oxo-8- (pyridin-4-yl)-6,1...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1ccncc1 Show InChI InChI=1S/C26H21N3O/c1-4-16-12-20-21(13-19(16)17-7-9-28-10-8-17)26(2,3)25-23(24(20)30)18-6-5-15(14-27)11-22(18)29-25/h5-13,29H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.61	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500351 (CHEMBL3746960 | US11066363, Compound 19) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C26H28N4O/c1-5-17-13-19-20(14-22(17)30-10-8-29(4)9-11-30)26(2,3)25-23(24(19)31)18-7-6-16(15-27)12-21(18)28-25/h6-7,12-14,28H,5,8-11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	2.66	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500356 (CHEMBL3747406 | US11066363, Compound 7) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(C)c1 Show InChI InChI=1S/C25H22N4O/c1-5-15-9-19-20(10-18(15)16-12-27-29(4)13-16)25(2,3)24-22(23(19)30)17-7-6-14(11-26)8-21(17)28-24/h6-10,12-13,28H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	3.01	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500355 (CHEMBL3747108 | US11066363, Compound 36) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C(=O)N(C)C Show InChI InChI=1S/C27H25N5O2/c1-6-16-10-20-21(11-19(16)17-13-29-32(14-17)26(34)31(4)5)27(2,3)25-23(24(20)33)18-8-7-15(12-28)9-22(18)30-25/h7-11,13-14,30H,6H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	4.75	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500353 (CHEMBL3746395 | US11066363, Compound 10) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1 Show InChI InChI=1S/C24H19N3O2/c1-4-14-8-18-19(9-17(14)15-11-26-29-12-15)24(2,3)23-21(22(18)28)16-6-5-13(10-25)7-20(16)27-23/h5-9,11-12,27H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	5.09	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500357 (CHEMBL3746522 | US11066363, Compound 31) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCN(C)C)c1 Show InChI InChI=1S/C28H29N5O/c1-6-18-12-22-23(13-21(18)19-15-30-33(16-19)10-9-32(4)5)28(2,3)27-25(26(22)34)20-8-7-17(14-29)11-24(20)31-27/h7-8,11-13,15-16,31H,6,9-10H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500359 (CHEMBL3747611 | US11066363, Compound 13) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn[nH]1 Show InChI InChI=1S/C23H19N5O/c1-4-13-8-16-17(9-15(13)19-11-25-28-27-19)23(2,3)22-20(21(16)29)14-6-5-12(10-24)7-18(14)26-22/h5-9,11,26H,4H2,1-3H3,(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	7.46	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500351 (CHEMBL3746960 | US11066363, Compound 19) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C26H28N4O/c1-5-17-13-19-20(14-22(17)30-10-8-29(4)9-11-30)26(2,3)25-23(24(19)31)18-7-6-16(15-27)12-21(18)28-25/h6-7,12-14,28H,5,8-11H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	8.57	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500356 (CHEMBL3747406 | US11066363, Compound 7) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(C)c1 Show InChI InChI=1S/C25H22N4O/c1-5-15-9-19-20(10-18(15)16-12-27-29(4)13-16)25(2,3)24-22(23(19)30)17-7-6-14(11-26)8-21(17)28-24/h6-10,12-13,28H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM504520 (9-ethyl-6,6-dimethyl-11-oxo-8- (pyrimidin-5-yl)-6,...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cncnc1 Show InChI InChI=1S/C25H20N4O/c1-4-15-8-19-20(9-18(15)16-11-27-13-28-12-16)25(2,3)24-22(23(19)30)17-6-5-14(10-26)7-21(17)29-24/h5-9,11-13,29H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM504519 ((9-ethyl-6,6-dimethyl-11-oxo-8- (pyridin-4-yl)-6,1...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1ccncc1 Show InChI InChI=1S/C26H21N3O/c1-4-16-12-20-21(13-19(16)17-7-9-28-10-8-17)26(2,3)25-23(24(20)30)18-6-5-15(14-27)11-22(18)29-25/h5-13,29H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	13.2	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500353 (CHEMBL3746395 | US11066363, Compound 10) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1 Show InChI InChI=1S/C24H19N3O2/c1-4-14-8-18-19(9-17(14)15-11-26-29-12-15)24(2,3)23-21(22(18)28)16-6-5-13(10-25)7-20(16)27-23/h5-9,11-12,27H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50500355 (CHEMBL3747108 | US11066363, Compound 36) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C(=O)N(C)C Show InChI InChI=1S/C27H25N5O2/c1-6-16-10-20-21(11-19(16)17-13-29-32(14-17)26(34)31(4)5)27(2,3)25-23(24(20)33)18-8-7-15(12-28)9-22(18)30-25/h7-11,13-14,30H,6H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 2 (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50512854 (CHEMBL4468747 | US11066363, Compound 37) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cccc(c1)S(F)(=O)=O Show InChI InChI=1S/C27H21FN2O3S/c1-4-16-12-21-22(13-20(16)17-6-5-7-18(11-17)34(28,32)33)27(2,3)26-24(25(21)31)19-9-8-15(14-29)10-23(19)30-26/h5-13,30H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	35.6	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM504532 (4-(3-cyano-9-ethyl-6,6-dimethyl-11- oxo-6,11-dihyd...) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1ccc(cc1)S(F)(=O)=O Show InChI InChI=1S/C27H21FN2O3S/c1-4-16-12-21-22(13-20(16)17-6-8-18(9-7-17)34(28,32)33)27(2,3)26-24(25(21)31)19-10-5-15(14-29)11-23(19)30-26/h5-13,30H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM50500352 (CHEMBL3746665 | US11066363, Compound 17) Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H32N4O/c1-6-18-14-21-22(15-24(18)32-11-9-19(10-12-32)31(4)5)28(2,3)27-25(26(21)33)20-8-7-17(16-29)13-23(20)30-27/h7-8,13-15,19,30H,6,9-12H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	>103	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description SRPK1 Inhibitory Activities of the Compounds.				US Patent US11066363 (2021)
					More data for this Ligand-Target Pair