Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'kraynov' and Initial = 'e'   

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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50187673 (5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...) Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1 Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant GnRH receptor				J Med Chem 49: 3362-7 (2006) Article DOI: 10.1021/jm060012g BindingDB Entry DOI: 10.7270/Q2F76C54
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50187673 (5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...) Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1 Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Binding affinity to rat pituitary GnRH receptor				J Med Chem 49: 3362-7 (2006) Article DOI: 10.1021/jm060012g BindingDB Entry DOI: 10.7270/Q2F76C54
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121472 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121475 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389112 (CHEMBL2064556) Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(cc5)-c5ccccn5)cc4[nH]3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C37H34N8O/c1-45(2)23-34(25-8-4-3-5-9-25)42-37(46)27-15-17-31-29(20-27)35(44-43-31)36-40-32-18-16-28(21-33(32)41-36)39-22-24-11-13-26(14-12-24)30-10-6-7-19-38-30/h3-21,34,39H,22-23H2,1-2H3,(H,40,41)(H,42,46)(H,43,44)/t34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121461 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50389111 (CHEMBL2064555) Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121484 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121484 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description Competitive inhibition of GnRH-stimulated extracellular acidification in cells expressing recombinant rat GnRH receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50314714 ((R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)ben...) Show SMILES OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay				Bioorg Med Chem Lett 20: 2210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.033 BindingDB Entry DOI: 10.7270/Q2GX4BPW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389111 (CHEMBL2064555) Show SMILES CN(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H24N6O/c1-31(2)15-22(16-8-4-3-5-9-16)28-25(32)17-12-13-19-18(14-17)23(30-29-19)24-26-20-10-6-7-11-21(20)27-24/h3-14,22H,15H2,1-2H3,(H,26,27)(H,28,32)(H,29,30)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121464 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NCC4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121462 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NCC1CCCO1 Show InChI InChI=1S/C39H49N5O3/c1-25-17-32-33(39(5,6)15-14-38(32,3)4)20-29(25)19-30-12-13-34(47-30)36(45)41-22-27-9-7-10-28(18-27)23-43-37-42-21-26(2)35(44-37)40-24-31-11-8-16-46-31/h7,9-10,12-13,17-18,20-21,31H,8,11,14-16,19,22-24H2,1-6H3,(H,41,45)(H2,40,42,43,44)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121466 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(n3)N3CCOCC3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C37H45N5O3/c1-25-19-30-31(37(4,5)13-12-36(30,2)3)22-28(25)21-29-9-10-32(45-29)34(43)39-23-26-7-6-8-27(20-26)24-40-35-38-14-11-33(41-35)42-15-17-44-18-16-42/h6-11,14,19-20,22H,12-13,15-18,21,23-24H2,1-5H3,(H,39,43)(H,38,40,41)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121472 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121470 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(C1)Nc1nccc(NCC3CCCO3)n1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C37H51N5O3/c1-24-18-30-31(37(4,5)15-14-36(30,2)3)21-26(24)20-28-11-12-32(45-28)34(43)40-22-25-8-6-9-27(19-25)41-35-38-16-13-33(42-35)39-23-29-10-7-17-44-29/h11-13,16,18,21,25,27,29H,6-10,14-15,17,19-20,22-23H2,1-5H3,(H,40,43)(H2,38,39,41,42)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121484 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121475 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3ccnc(NC[C@@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-23-27-9-6-8-26(19-27)22-40-34-13-16-39-36(43-34)42-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121483 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 Show InChI InChI=1S/C37H47N5O3/c1-25-19-30-31(37(4,5)15-14-36(30,2)3)22-28(25)21-29-11-12-32(45-29)34(43)40-23-26-9-7-10-27(20-26)24-41-35-39-17-13-33(42-35)38-16-8-18-44-6/h7,9-13,17,19-20,22H,8,14-16,18,21,23-24H2,1-6H3,(H,40,43)(H2,38,39,41,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121483 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 Show InChI InChI=1S/C37H47N5O3/c1-25-19-30-31(37(4,5)15-14-36(30,2)3)22-28(25)21-29-11-12-32(45-29)34(43)40-23-26-9-7-10-27(20-26)24-41-35-39-17-13-33(42-35)38-16-8-18-44-6/h7,9-13,17,19-20,22H,8,14-16,18,21,23-24H2,1-6H3,(H,40,43)(H2,38,39,41,42)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389116 (CHEMBL2064561) Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O3/c1-25(2)21-19(22(28-27-21)26-23(31)18-13-9-6-10-14-18)15-30(25)24(32)33-20(16-29(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H2,26,27,28,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50056217 (CHEMBL3353369) Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				Bioorg Med Chem Lett 24: 4187-91 (2014) Article DOI: 10.1016/j.bmcl.2014.07.044 BindingDB Entry DOI: 10.7270/Q2QJ7JX1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389117 (CHEMBL2064562) Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c1-25(2)21-19(22(29-28-21)27-23(32)17-10-12-18(26)13-11-17)14-31(25)24(33)34-20(15-30(3)4)16-8-6-5-7-9-16/h5-13,20H,14-15H2,1-4H3,(H2,27,28,29,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121462 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NCC1CCCO1 Show InChI InChI=1S/C39H49N5O3/c1-25-17-32-33(39(5,6)15-14-38(32,3)4)20-29(25)19-30-12-13-34(47-30)36(45)41-22-27-9-7-10-28(18-27)23-43-37-42-21-26(2)35(44-37)40-24-31-11-8-16-46-31/h7,9-10,12-13,17-18,20-21,31H,8,11,14-16,19,22-24H2,1-6H3,(H,41,45)(H2,40,42,43,44)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121481 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES COCCNc1nccc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 Show InChI InChI=1S/C36H45N5O3/c1-24-18-29-30(36(4,5)14-13-35(29,2)3)21-27(24)20-28-10-11-31(44-28)33(42)40-23-26-9-7-8-25(19-26)22-39-32-12-15-37-34(41-32)38-16-17-43-6/h7-12,15,18-19,21H,13-14,16-17,20,22-23H2,1-6H3,(H,40,42)(H2,37,38,39,41)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121479 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)| Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121465 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NC[C@H]1CC[C@H](CNc3ccnc(NC[C@@H]4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |wU:20.22,30.31,wD:17.18,(1.39,3.28,;.04,4,;-1.33,3.28,;-2.7,4,;-2.7,5.43,;-1.34,6.15,;.03,5.44,;1.38,6.17,;2.77,5.46,;2.76,4.01,;5.48,4,;5.48,5.44,;4.13,6.17,;6.86,6.17,;6.87,7.61,;8.23,5.43,;9.59,6.14,;10.96,5.43,;10.94,3.99,;12.31,3.26,;13.68,3.99,;15.17,3.09,;16.69,3.92,;18.17,3.02,;18.17,1.58,;19.54,.86,;20.9,1.59,;20.9,3.02,;22.38,3.92,;23.92,3.09,;25.4,3.99,;26.63,2.78,;28.74,4.91,;27.49,6.12,;25.82,5.67,;19.54,3.75,;13.68,5.43,;12.31,6.14,;-4.07,6.17,;-5.43,6.88,;-2.7,6.89,;-5.41,5.43,;-5.41,3.99,;-4.07,3.28,;-2.7,2.57,;-5.43,2.57,)| Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-23-27-10-8-26(9-11-27)22-40-34-14-17-39-36(43-34)42-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t26-,27-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121469 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1 Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389113 (CHEMBL2064558) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H30N6O2/c1-25(2)21-19(22(29-28-21)27-23(32)18-13-9-6-10-14-18)15-31(25)24(33)26-20(16-30(3)4)17-11-7-5-8-12-17/h5-14,20H,15-16H2,1-4H3,(H,26,33)(H2,27,28,29,32)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389120 (CHEMBL2064565) Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccccn3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C24H28N6O3/c1-24(2)20-17(21(28-27-20)26-22(31)18-12-8-9-13-25-18)14-30(24)23(32)33-19(15-29(3)4)16-10-6-5-7-11-16/h5-13,19H,14-15H2,1-4H3,(H2,26,27,28,31)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121464 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NCC4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121478 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CNc3nccc(NCC4CCCO4)n3)cc1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h8-14,17,19,21,30H,6-7,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121467 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3cc(Cl)nc(N)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C33H38ClN5O2/c1-20-13-25-26(33(4,5)12-11-32(25,2)3)16-23(20)15-24-9-10-27(41-24)30(40)37-19-22-8-6-7-21(14-22)18-36-29-17-28(34)38-31(35)39-29/h6-10,13-14,16-17H,11-12,15,18-19H2,1-5H3,(H,37,40)(H3,35,36,38,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121478 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CNc3nccc(NCC4CCCO4)n3)cc1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h8-14,17,19,21,30H,6-7,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121481 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES COCCNc1nccc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 Show InChI InChI=1S/C36H45N5O3/c1-24-18-29-30(36(4,5)14-13-35(29,2)3)21-27(24)20-28-10-11-31(44-28)33(42)40-23-26-9-7-8-25(19-26)22-39-32-12-15-37-34(41-32)38-16-17-43-6/h7-12,15,18-19,21H,13-14,16-17,20,22-23H2,1-6H3,(H,40,42)(H2,37,38,39,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50121469 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1 Show InChI InChI=1S/C34H41N5O2/c1-21-14-27-28(34(5,6)13-12-33(27,3)4)18-25(21)17-26-10-11-29(41-26)31(40)37-20-24-9-7-8-23(16-24)19-36-30-15-22(2)38-32(35)39-30/h7-11,14-16,18H,12-13,17,19-20H2,1-6H3,(H,37,40)(H3,35,36,38,39)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards rat gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121461 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(NC[C@H]4CCCO4)n3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C38H47N5O3/c1-25-18-31-32(38(4,5)15-14-37(31,2)3)21-28(25)20-29-11-12-33(46-29)35(44)41-22-26-8-6-9-27(19-26)23-42-36-39-16-13-34(43-36)40-24-30-10-7-17-45-30/h6,8-9,11-13,16,18-19,21,30H,7,10,14-15,17,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121470 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(C1)Nc1nccc(NCC3CCCO3)n1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C37H51N5O3/c1-24-18-30-31(37(4,5)15-14-36(30,2)3)21-26(24)20-28-11-12-32(45-28)34(43)40-22-25-8-6-9-27(19-25)41-35-38-16-13-33(42-35)39-23-29-10-7-17-44-29/h11-13,16,18,21,25,27,29H,6-10,14-15,17,19-20,22-23H2,1-5H3,(H,40,43)(H2,38,39,41,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121471 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ncc(C#N)c(N)n3)CC1)C(C)(C)CCC2(C)C |(-1.59,-12.61,;-2.93,-11.9,;-4.29,-12.61,;-5.65,-11.9,;-5.65,-10.47,;-4.31,-9.75,;-2.95,-10.46,;-1.59,-9.74,;-.21,-10.44,;-.23,-11.88,;2.49,-11.9,;2.49,-10.46,;1.13,-9.74,;3.85,-9.74,;3.87,-8.3,;5.21,-10.47,;6.7,-9.58,;8.21,-10.42,;9.7,-9.53,;11.2,-10.36,;11.23,-12.09,;12.74,-12.93,;14.22,-12.04,;15.64,-13.03,;17.19,-12.3,;18.6,-13.28,;18.46,-15.01,;19.88,-15.99,;21.29,-16.98,;16.9,-15.74,;16.74,-17.45,;15.49,-14.76,;9.75,-12.95,;8.25,-12.14,;-7,-9.74,;-8.37,-9.03,;-5.65,-9.02,;-8.36,-10.47,;-8.36,-11.91,;-7,-12.61,;-8.37,-13.32,;-5.65,-13.32,)| Show InChI InChI=1S/C34H44N6O2/c1-21-14-27-28(34(4,5)13-12-33(27,2)3)16-24(21)15-26-10-11-29(42-26)31(41)37-18-22-6-8-23(9-7-22)19-38-32-39-20-25(17-35)30(36)40-32/h10-11,14,16,20,22-23H,6-9,12-13,15,18-19H2,1-5H3,(H,37,41)(H3,36,38,39,40)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389109 (CHEMBL2064557) Show SMILES CN1CCN([C@@H](Cc2ccccc2)C1)C(=O)N1Cc2c(NC(=O)c3cccc(Oc4ccccc4)c3)[nH]nc2C1(C)C |r| Show InChI InChI=1S/C33H36N6O3/c1-33(2)29-28(22-39(33)32(41)38-18-17-37(3)21-25(38)19-23-11-6-4-7-12-23)30(36-35-29)34-31(40)24-13-10-16-27(20-24)42-26-14-8-5-9-15-26/h4-16,20,25H,17-19,21-22H2,1-3H3,(H2,34,35,36,40)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121468 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCCC(CNc3ncccn3)C1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C33H44N4O2/c1-22-16-27-28(33(4,5)13-12-32(27,2)3)19-25(22)18-26-10-11-29(39-26)30(38)36-20-23-8-6-9-24(17-23)21-37-31-34-14-7-15-35-31/h7,10-11,14-16,19,23-24H,6,8-9,12-13,17-18,20-21H2,1-5H3,(H,36,38)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389119 (CHEMBL2064564) Show SMILES CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H27F2N5O3/c1-25(2)21-18(22(30-29-21)28-23(33)17-11-10-16(26)12-19(17)27)13-32(25)24(34)35-20(14-31(3)4)15-8-6-5-7-9-15/h5-12,20H,13-14H2,1-4H3,(H2,28,29,30,33)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121479 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3nccc(NCC4CCCO4)n3)CC1)C(C)(C)CCC2(C)C |(-3.76,-4.21,;-5.12,-3.49,;-6.47,-4.21,;-7.83,-3.49,;-7.83,-2.07,;-6.47,-1.34,;-5.12,-2.05,;-3.76,-1.33,;-2.4,-2.05,;-2.4,-3.49,;.31,-3.49,;.31,-2.05,;-1.04,-1.33,;1.68,-1.34,;1.68,.1,;3.04,-2.07,;4.52,-1.18,;6.02,-2.01,;6.47,-3.67,;8.11,-4.11,;9.34,-2.9,;11.02,-3.36,;12.51,-2.48,;13.86,-1.76,;13.86,-.32,;15.22,.38,;16.58,-.32,;16.58,-1.76,;18.05,-2.65,;19.56,-1.83,;21.05,-2.72,;21.05,-4.43,;22.54,-5.29,;24.03,-2.72,;22.54,-1.86,;15.22,-2.48,;8.9,-1.24,;7.22,-.79,;-9.19,-1.34,;-10.55,-.63,;-7.83,-.61,;-10.53,-2.07,;-10.53,-3.5,;-9.19,-4.21,;-7.83,-4.92,;-10.55,-4.91,)| Show InChI InChI=1S/C38H53N5O3/c1-25-19-31-32(38(4,5)16-15-37(31,2)3)21-28(25)20-29-12-13-33(46-29)35(44)41-22-26-8-10-27(11-9-26)23-42-36-39-17-14-34(43-36)40-24-30-7-6-18-45-30/h12-14,17,19,21,26-27,30H,6-11,15-16,18,20,22-24H2,1-5H3,(H,41,44)(H2,39,40,42,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50056216 (CHEMBL3353368) Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CCc1c(Cl)cccc1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				Bioorg Med Chem Lett 24: 4187-91 (2014) Article DOI: 10.1016/j.bmcl.2014.07.044 BindingDB Entry DOI: 10.7270/Q2QJ7JX1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50056208 (CHEMBL3322220) Show SMILES OC(=O)[C@@H](Cc1nc2cc(F)ccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				Bioorg Med Chem Lett 24: 4187-91 (2014) Article DOI: 10.1016/j.bmcl.2014.07.044 BindingDB Entry DOI: 10.7270/Q2QJ7JX1
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121466 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1cccc(CNc3nccc(n3)N3CCOCC3)c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C37H45N5O3/c1-25-19-30-31(37(4,5)13-12-36(30,2)3)22-28(25)21-29-9-10-32(45-29)34(43)39-23-26-7-6-8-27(20-26)24-40-35-38-14-11-33(41-35)42-15-17-44-18-16-42/h6-11,14,19-20,22H,12-13,15-18,21,23-24H2,1-5H3,(H,39,43)(H,38,40,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50056214 (CHEMBL3322219) Show SMILES OC(=O)[C@@H](Cc1nc2cc(F)ccc2[nH]1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				Bioorg Med Chem Lett 24: 4187-91 (2014) Article DOI: 10.1016/j.bmcl.2014.07.044 BindingDB Entry DOI: 10.7270/Q2QJ7JX1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50389118 (CHEMBL2064563) Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccccc3F)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H29FN6O2/c1-25(2)21-18(22(30-29-21)28-23(33)17-12-8-9-13-19(17)26)14-32(25)24(34)27-20(15-31(3)4)16-10-6-5-7-11-16/h5-13,20H,14-15H2,1-4H3,(H,27,34)(H2,28,29,30,33)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PAK4				J Med Chem 55: 4728-39 (2012) Article DOI: 10.1021/jm300204j BindingDB Entry DOI: 10.7270/Q2BZ673W
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121486 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCC1CCC(CNc3ccnc(Cl)n3)CC1)C(C)(C)CCC2(C)C |(-2.48,-15.18,;-3.84,-14.47,;-5.21,-15.18,;-6.57,-14.47,;-6.57,-13.03,;-5.21,-12.32,;-3.84,-13.03,;-2.49,-12.3,;-1.12,-13.02,;-1.12,-14.46,;1.6,-14.47,;1.6,-13.03,;.24,-12.3,;2.97,-12.32,;2.97,-10.87,;4.33,-13.03,;5.82,-12.14,;7.32,-12.98,;7.35,-14.71,;8.84,-15.55,;10.33,-14.67,;11.84,-15.52,;13.34,-14.63,;14.84,-15.47,;16.33,-14.58,;17.83,-15.42,;17.85,-17.16,;16.36,-18.06,;16.39,-19.78,;14.86,-17.2,;10.31,-12.95,;8.8,-12.09,;-7.91,-12.32,;-6.57,-11.59,;-9.29,-11.59,;-9.27,-13.03,;-9.27,-14.47,;-7.91,-15.18,;-9.29,-15.89,;-6.57,-15.91,)| Show InChI InChI=1S/C33H43ClN4O2/c1-21-16-26-27(33(4,5)14-13-32(26,2)3)18-24(21)17-25-10-11-28(40-25)30(39)37-20-23-8-6-22(7-9-23)19-36-29-12-15-35-31(34)38-29/h10-12,15-16,18,22-23H,6-9,13-14,17,19-20H2,1-5H3,(H,37,39)(H,35,36,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50121473 (5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Cc1ccc(o1)C(=O)NCc1ccc(CNc3ncccn3)cc1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C33H38N4O2/c1-22-17-27-28(33(4,5)14-13-32(27,2)3)19-25(22)18-26-11-12-29(39-26)30(38)36-20-23-7-9-24(10-8-23)21-37-31-34-15-6-16-35-31/h6-12,15-17,19H,13-14,18,20-21H2,1-5H3,(H,36,38)(H,34,35,37)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description In vitro binding affinity towards human gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3635-9 (2002) BindingDB Entry DOI: 10.7270/Q2XK8DXZ
					More data for this Ligand-Target Pair

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