Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50032173   

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
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325424 ((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C22H22FN9O/c23-18-8-7-14(12-24-18)25-21(33)17-4-1-9-31(17)22-27-20(16-3-2-10-32(16)30-22)26-19-11-15(28-29-19)13-5-6-13/h2-3,7-8,10-13,17H,1,4-6,9H2,(H,25,33)(H2,26,27,28,29,30)/t17-/m0/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50299148 ((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r| Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325424 ((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc([nH]n3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C22H22FN9O/c23-18-8-7-14(12-24-18)25-21(33)17-4-1-9-31(17)22-27-20(16-3-2-10-32(16)30-22)26-19-11-15(28-29-19)13-5-6-13/h2-3,7-8,10-13,17H,1,4-6,9H2,(H,25,33)(H2,26,27,28,29,30)/t17-/m0/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325430 (CHEMBL1222855 | N-((4-(5-cyclopropyl-1H-pyrazol-3-...) Show SMILES Fc1ccc(cn1)C(=O)NCc1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 Show InChI InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325425 ((S)-(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrr...) Show SMILES Fc1ccc(cn1)C(=O)N1CCC[C@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50299148 ((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r| Show InChI InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325428 (CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1	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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325428 (CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1	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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325427 ((S)-5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES Fc1ccc(cn1)C(=O)N1[C@@H](CCC1=O)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C22H19FN8O2/c23-17-7-5-13(11-24-17)22(33)31-16(6-8-19(31)32)21-26-20(15-2-1-9-30(15)29-21)25-18-10-14(27-28-18)12-3-4-12/h1-2,5,7,9-12,16H,3-4,6,8H2,(H2,25,26,27,28,29)/t16-/m0/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325429 (2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1...) Show SMILES Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |t:8| Show InChI InChI=1S/C23H21FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325430 (CHEMBL1222855 | N-((4-(5-cyclopropyl-1H-pyrazol-3-...) Show SMILES Fc1ccc(cn1)C(=O)NCc1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 Show InChI InChI=1S/C19H17FN8O/c20-15-6-5-12(9-21-15)19(29)22-10-17-24-18(14-2-1-7-28(14)27-17)23-16-8-13(25-26-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,22,29)(H2,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325425 ((S)-(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrr...) Show SMILES Fc1ccc(cn1)C(=O)N1CCC[C@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325428 (CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1	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	206	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325428 (CHEMBL1222791 | trans-2-(4-(5-cyclopropyl-1H-pyraz...) Show SMILES Fc1ccc(NC(=O)[C@@H]2CCC[C@H]2c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |r| Show InChI InChI=1S/C23H23FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13,15-16H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)/t15-,16-/m1/s1	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	206	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325429 (2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1...) Show SMILES Fc1ccc(NC(=O)C2=C(CCC2)c2nc(Nc3cc(n[nH]3)C3CC3)c3cccn3n2)cn1 |t:8| Show InChI InChI=1S/C23H21FN8O/c24-19-9-8-14(12-25-19)26-23(33)16-4-1-3-15(16)21-28-22(18-5-2-10-32(18)31-21)27-20-11-17(29-30-20)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,26,33)(H2,27,28,29,30,31)	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	237	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325427 ((S)-5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES Fc1ccc(cn1)C(=O)N1[C@@H](CCC1=O)c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C22H19FN8O2/c23-17-7-5-13(11-24-17)22(33)31-16(6-8-19(31)32)21-26-20(15-2-1-9-30(15)29-21)25-18-10-14(27-28-18)12-3-4-12/h1-2,5,7,9-12,16H,3-4,6,8H2,(H2,25,26,27,28,29)/t16-/m0/s1	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	508	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R in IGF1R-SAL cells				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50325426 ((R)-(2-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrr...) Show SMILES Fc1ccc(cn1)C(=O)N1CCC[C@@H]1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C22H21FN8O/c23-18-8-7-14(12-24-18)22(32)30-9-1-3-16(30)21-26-20(17-4-2-10-31(17)29-21)25-19-11-15(27-28-19)13-5-6-13/h2,4,7-8,10-13,16H,1,3,5-6,9H2,(H2,25,26,27,28,29)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of IGF1R				Bioorg Med Chem Lett 20: 5027-30 (2010) Article DOI: 10.1016/j.bmcl.2010.07.045 BindingDB Entry DOI: 10.7270/Q2WH2Q5J
					More data for this Ligand-Target Pair				3D Structure (crystal)