Compile Data Set for Download or QSAR

Found 728 hits with Last Name = 'afroze' and Initial = 'r'   

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
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575593 (CHEMBL4878832) Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Br)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575601 (CHEMBL4858933) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)nc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575600 (CHEMBL4873487) Show SMILES Cc1sc(cc1C1OCCc2cccnc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575590 (CHEMBL4864361) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)n2)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575588 (CHEMBL4854038) Show SMILES Cc1sc(cc1C(N)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575591 (CHEMBL4850183) Show SMILES CC(O)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575599 (CHEMBL4848140) Show SMILES Cc1sc(cc1C1OCCc2ccccc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575586 (CHEMBL4848442) Show SMILES Cc1sc(cc1C(O)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575587 (CHEMBL4852516) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C(O)c2cccc(Cl)c2)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575592 (CHEMBL4860917) Show SMILES CC(N)(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575589 (CHEMBL4877684) Show SMILES NC(c1cc(sc1Cl)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575568 (CHEMBL4870385) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575604 (CHEMBL4873956) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2NCCc3ccc(Cl)cc23)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575596 (CHEMBL4848114) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)[C@@H]1OCCc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575594 (CHEMBL4856793) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575594 (CHEMBL4856793) Show SMILES Cc1sc(cc1C1OCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575597 (CHEMBL4861509) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1OCCc2ccc(Cl)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575579 (CHEMBL4847817) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)c2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575576 (CHEMBL4874906) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Br)n2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575565 (CHEMBL4864280) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Cl)c2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575606 (CHEMBL4856040) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCCc2ccc(Cl)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575555 (CHEMBL4878088) Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@H](O)[C@@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462705 (US10780090, Compound I-43 | {(1R,2S,4R)-4-[(5-{[4-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Cl)c2)cs1 Show InChI InChI=1S/C22H23ClN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575605 (CHEMBL4865157) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCCc2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575595 (CHEMBL4849766) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2OCCc3ccc(Cl)cc23)c(Cl)s1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575581 (CHEMBL4860263) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575581 (CHEMBL4860263) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C(O)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462958 (US10780090, Compound I-263a | US10780090, Compound...) Show SMILES Cc1sc(cc1[C@@H]1NCCc2ccc(Cl)cc12)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575575 (CHEMBL4870143) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(Cl)n2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575570 (CHEMBL4865787) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(c2)C#C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575571 (CHEMBL4861240) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2cccc(c2)C(F)(F)F)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575573 (CHEMBL4862322) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccc(Cl)o2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462715 (US10780090, Compound I-51 | US10780090, Compound I...) Show SMILES Cc1sc(cc1Cc1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 Show InChI InChI=1S/C23H25ClN4O5S2/c1-13-15(5-14-3-2-4-17(24)6-14)8-21(34-13)22(30)19-10-26-12-27-23(19)28-18-7-16(20(29)9-18)11-33-35(25,31)32/h2-4,6,8,10,12,16,18,20,29H,5,7,9,11H2,1H3,(H2,25,31,32)(H,26,27,28)/t16-,18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl1				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462725 (US10780090, Compound I-59 | {(1R,2S,4R)-4-[(5-{[4-...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(Cc2cccc(Br)c2)cs1 Show InChI InChI=1S/C22H23BrN4O5S2/c23-16-3-1-2-13(5-16)4-14-6-20(33-11-14)21(29)18-9-25-12-26-22(18)27-17-7-15(19(28)8-17)10-32-34(24,30)31/h1-3,5-6,9,11-12,15,17,19,28H,4,7-8,10H2,(H2,24,30,31)(H,25,26,27)/t15-,17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575582 (CHEMBL4862248) Show SMILES NC(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575582 (CHEMBL4862248) Show SMILES NC(c1csc(c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1)c1cccc(Cl)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139157 (CHEMBL3764588) Show SMILES Cl.Cn1nccc1-c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C30H26F3N5O3.ClH/c1-38-25(8-11-35-38)19-12-20(14-21(13-19)30(31,32)33)29(40)36-22-4-2-17-3-5-23(16-18(17)15-22)41-26-9-10-34-28-24(26)6-7-27(39)37-28;/h3,5,8-14,16,22H,2,4,6-7,15H2,1H3,(H,36,40)(H,34,37,39);1H/t22-;/m1./s1	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Bioorg Med Chem Lett 26: 1156-60 (2016) Article DOI: 10.1016/j.bmcl.2016.01.049 BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575608 (CHEMBL4851718) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1NCc2ccc(Cl)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139150 (CHEMBL3763999) Show SMILES Cl.N[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C28H27F3N4O4.ClH/c29-28(30,31)19-10-17(23(32)14-36)9-18(11-19)27(38)34-20-3-1-15-2-4-21(13-16(15)12-20)39-24-7-8-33-26-22(24)5-6-25(37)35-26;/h2,4,7-11,13,20,23,36H,1,3,5-6,12,14,32H2,(H,34,38)(H,33,35,37);1H/t20-,23-;/m1./s1	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Bioorg Med Chem Lett 26: 1156-60 (2016) Article DOI: 10.1016/j.bmcl.2016.01.049 BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575577 (CHEMBL4860740) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccccc2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575569 (CHEMBL4866755) Show SMILES Cc1cccc(Cn2ccc(n2)C(=O)c2cncnc2N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575598 (CHEMBL4862587) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)C1OCCc2c(Cl)cccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139149 (CHEMBL3765012) Show SMILES Cl.Cl.NC1(CCC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C30H29F3N4O3.2ClH/c31-30(32,33)21-13-19(12-20(16-21)29(34)9-1-10-29)28(39)36-22-4-2-17-3-5-23(15-18(17)14-22)40-25-8-11-35-27-24(25)6-7-26(38)37-27;;/h3,5,8,11-13,15-16,22H,1-2,4,6-7,9-10,14,34H2,(H,36,39)(H,35,37,38);2*1H/t22-;;/m1../s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Bioorg Med Chem Lett 26: 1156-60 (2016) Article DOI: 10.1016/j.bmcl.2016.01.049 BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50139147 (CHEMBL3765509) Show SMILES Cl.Cl.CCNCc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3.2ClH/c1-2-33-16-17-11-20(13-21(12-17)29(30,31)32)28(38)35-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-34-27-24(25)7-8-26(37)36-27;;/h4,6,9-13,15,22,33H,2-3,5,7-8,14,16H2,1H3,(H,35,38)(H,34,36,37);2*1H/t22-;;/m1../s1	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. 40 Landsdowne Street, Cambridge, MA 02139, United States. Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...				Bioorg Med Chem Lett 26: 1156-60 (2016) Article DOI: 10.1016/j.bmcl.2016.01.049 BindingDB Entry DOI: 10.7270/Q29P33HD
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575556 (CHEMBL4865086) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccccc2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM50575574 (CHEMBL4852740) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccc(Cl)s2)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1/2 (Homo sapiens (Human))	BDBM462748 (US10780090, Compound I-82 | [(1R,2S,4R)-4-({5-[5-(...) Show SMILES NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccc(Cc2cccc(Br)c2)o1 Show InChI InChI=1S/C22H23BrN4O6S/c23-15-3-1-2-13(6-15)7-17-4-5-20(33-17)21(29)18-10-25-12-26-22(18)27-16-8-14(19(28)9-16)11-32-34(24,30)31/h1-6,10,12,14,16,19,28H,7-9,11H2,(H2,24,30,31)(H,25,26,27)/t14-,16-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01491 BindingDB Entry DOI: 10.7270/Q2PK0KZ8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 728 total )  |  Next  |  Last  >>

Jump to: