Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'chavan' and Initial = 's'   

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
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260444 (CHEMBL4073111) Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260443 (CHEMBL4096086) Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3965 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3130 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50168995 ((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...) Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r| Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50168995 ((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...) Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O |r| Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3994 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3991 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2948 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50482721 (Kifunensine) Show SMILES [H][C@]12NC(=O)C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50482721 (Kifunensine) Show SMILES [H][C@]12NC(=O)C(=O)N1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O |r| Show InChI InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3858 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3962 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4073 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260445 (CHEMBL4064761) Show SMILES OC[C@@]1(NC[C@H](F)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H10FNO4/c7-3-1-8-6(2-9,4(3)10)5(11)12/h3-4,8-10H,1-2H2,(H,11,12)/t3-,4+,6-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluor...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase/Alpha-1,2-mannosidase family protein/Alpha-1,2-mannosidase, putative/Glycoside hydrolase family 92/Putative alpha-1,2-mannosidase (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1032 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3963 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4093 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4092 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1878 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3784 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM50065259 ((2R,3R,4R,5R)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50315887 ((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248094 (VX-497 (2)) Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071033 (CHEMBL3409721) Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCC2)n[nH]1 Show InChI InChI=1S/C19H26N6/c1-2-4-11-25(10-3-1)19-20-15-7-5-6-14(15)18(22-19)21-17-12-16(23-24-17)13-8-9-13/h12-13H,1-11H2,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260444 (CHEMBL4073111) Show SMILES OCC1(CO)NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-6(3-9)5(11)4(10)1-7-6/h4-5,7-11H,1-3H2/t4-,5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071014 (CHEMBL3409716) Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071057 (CHEMBL3409713) Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1 Show InChI InChI=1S/C18H24N6/c1-2-9-24(10-3-1)18-19-14-6-4-5-13(14)17(21-18)20-16-11-15(22-23-16)12-7-8-12/h11-12H,1-10H2,(H2,19,20,21,22,23)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071036 (CHEMBL3409718) Show SMILES CCOC(=O)C1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C21H28N6O2/c1-2-29-20(28)14-8-10-27(11-9-14)21-22-16-5-3-4-15(16)19(24-21)23-18-12-17(25-26-18)13-6-7-13/h12-14H,2-11H2,1H3,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071031 (CHEMBL3409723) Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CC3CCC2C3)n[nH]1 Show InChI InChI=1S/C19H24N6/c1-2-14-15(3-1)20-19(25-10-11-4-7-13(25)8-11)22-18(14)21-17-9-16(23-24-17)12-5-6-12/h9,11-13H,1-8,10H2,(H2,20,21,22,23,24)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071032 (CHEMBL3409722) Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)N2CCCCCCC2)n[nH]1 Show InChI InChI=1S/C20H28N6/c1-2-4-11-26(12-5-3-1)20-21-16-8-6-7-15(16)19(23-20)22-18-13-17(24-25-18)14-9-10-14/h13-14H,1-12H2,(H2,21,22,23,24,25)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50260443 (CHEMBL4096086) Show SMILES OC[C@@]1(NC[C@@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO5/c8-2-6(5(11)12)4(10)3(9)1-7-6/h3-4,7-10H,1-2H2,(H,11,12)/t3-,4-,6+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Savitribai Phule Pune University (Formerly University of Pune) Curated by ChEMBL					Assay Description Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addit...				Bioorg Med Chem 25: 5148-5159 (2017) Article DOI: 10.1016/j.bmc.2017.07.026 BindingDB Entry DOI: 10.7270/Q23T9KP7
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071056 (CHEMBL3409714) Show SMILES OCC1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071026 (CHEMBL3409728) Show SMILES C1CC1c1cc(Nc2nc(nc3CCCc23)-c2ccccc2)n[nH]1 Show InChI InChI=1S/C19H19N5/c1-2-5-13(6-3-1)18-20-15-8-4-7-14(15)19(22-18)21-17-11-16(23-24-17)12-9-10-12/h1-3,5-6,11-12H,4,7-10H2,(H2,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071019 (CHEMBL3409735) Show SMILES CCOC(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1 Show InChI InChI=1S/C22H32N6O2/c1-5-30-20(29)14-8-7-11-28(13-14)21-23-16-10-6-9-15(16)19(25-21)24-18-12-17(26-27-18)22(2,3)4/h12,14H,5-11,13H2,1-4H3,(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50071014 (CHEMBL3409716) Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C19H26N6/c1-12-7-9-25(10-8-12)19-20-15-4-2-3-14(15)18(22-19)21-17-11-16(23-24-17)13-5-6-13/h11-13H,2-10H2,1H3,(H2,20,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IR (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolved f...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071035 (CHEMBL3409719) Show SMILES N#CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C19H23N7/c20-11-12-6-8-26(9-7-12)19-21-15-3-1-2-14(15)18(23-19)22-17-10-16(24-25-17)13-4-5-13/h10,12-13H,1-9H2,(H2,21,22,23,24,25)	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	124	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071029 (CHEMBL3409725) Show SMILES Cc1ccc(CNc2nc3CCCc3c(Nc3cc([nH]n3)C3CC3)n2)cc1 Show InChI InChI=1S/C21H24N6/c1-13-5-7-14(8-6-13)12-22-21-23-17-4-2-3-16(17)20(25-21)24-19-11-18(26-27-19)15-9-10-15/h5-8,11,15H,2-4,9-10,12H2,1H3,(H3,22,23,24,25,26,27)	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	149	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071038 (CHEMBL3409715) Show SMILES CCN(CC)C(=O)C1CCCN(C1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C23H33N7O/c1-3-29(4-2)22(31)16-7-6-12-30(14-16)23-24-18-9-5-8-17(18)21(26-23)25-20-13-19(27-28-20)15-10-11-15/h13,15-16H,3-12,14H2,1-2H3,(H2,24,25,26,27,28)	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	184	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071037 (CHEMBL3409717) Show SMILES CC1(C)CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1 Show InChI InChI=1S/C20H28N6/c1-20(2)8-10-26(11-9-20)19-21-15-5-3-4-14(15)18(23-19)22-17-12-16(24-25-17)13-6-7-13/h12-13H,3-11H2,1-2H3,(H2,21,22,23,24,25)	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	203	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248096 (IMPDH II inhibitor, 13) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-5-19(11-12-24)32-23(29)25-15(2)16-7-6-8-17(13-16)26-22(28)27-18-9-10-20(30-3)21(14-18)31-4/h6-10,13-15,19H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t15-,19?/m0/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	230	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071022 (CHEMBL3409732) Show SMILES CC(C)(C)c1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1 Show InChI InChI=1S/C19H28N6/c1-19(2,3)15-12-16(24-23-15)21-17-13-8-7-9-14(13)20-18(22-17)25-10-5-4-6-11-25/h12H,4-11H2,1-3H3,(H2,20,21,22,23,24)	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	251	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071030 (CHEMBL3409724) Show SMILES C(Nc1nc2CCCc2c(Nc2cc([nH]n2)C2CC2)n1)c1ccccc1 Show InChI InChI=1S/C20H22N6/c1-2-5-13(6-3-1)12-21-20-22-16-8-4-7-15(16)19(24-20)23-18-11-17(25-26-18)14-9-10-14/h1-3,5-6,11,14H,4,7-10,12H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071021 (CHEMBL3409733) Show SMILES CC1CCN(CC1)c1nc2CCCc2c(Nc2cc([nH]n2)C(C)(C)C)n1 Show InChI InChI=1S/C20H30N6/c1-13-8-10-26(11-9-13)19-21-15-7-5-6-14(15)18(23-19)22-17-12-16(24-25-17)20(2,3)4/h12-13H,5-11H2,1-4H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248095 (VX-148 (3)) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 |r| Show InChI InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50071025 (CHEMBL3409729) Show SMILES Cc1cc(Nc2nc(nc3CCCc23)N2CCCCC2)n[nH]1 Show InChI InChI=1S/C16H22N6/c1-11-10-14(21-20-11)18-15-12-6-5-7-13(12)17-16(19-15)22-8-3-2-4-9-22/h10H,2-9H2,1H3,(H2,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolve...				Eur J Med Chem 92: 246-56 (2015) Article DOI: 10.1016/j.ejmech.2014.12.053 BindingDB Entry DOI: 10.7270/Q2639RFV
					More data for this Ligand-Target Pair

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