Compile Data Set for Download or QSAR

Found 1592 hits with Last Name = 'roy' and Initial = 'n'   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50187686 (CHEMBL3828074 | US10526329, Compound 2 | US1107261...) Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysis				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090718 (CHEMBL327528 | N-(1-{1-[1-Carboxy-2-(1H-indol-3-yl...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)n1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C45H58N8O10/c1-7-24(5)37(41(58)49-34(44(61)62)19-27-22-47-31-16-12-10-14-29(27)31)52-42(59)38(25(6)8-2)51-39(56)32(20-36(54)55)48-40(57)35(17-23(3)4)53-43(60)33(50-45(53)63)18-26-21-46-30-15-11-9-13-28(26)30/h9-16,21-25,32,34-35,37-38,46-47,60H,7-8,17-20H2,1-6H3,(H,48,57)(H,49,58)(H,50,63)(H,51,56)(H,52,59)(H,54,55)(H,61,62)/t24-,25-,32-,34-,35-,37-,38-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090717 (15,18-Di-sec-butyl-9,12-bis-(1H-indol-3-ylmethyl)-...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](NC1=O)[C@@H](C)CC)C(O)=O Show InChI InChI=1S/C45H60N8O8S/c1-7-25(5)38-44(59)53-39(26(6)8-2)43(58)50-35(19-28-21-47-32-16-12-10-14-30(28)32)42(57)49-34(18-27-20-46-31-15-11-9-13-29(27)31)41(56)48-33(17-24(3)4)40(55)51-36(45(60)61)22-62-23-37(54)52-38/h9-16,20-21,24-26,33-36,38-39,46-47H,7-8,17-19,22-23H2,1-6H3,(H,48,56)(H,49,57)(H,50,58)(H,51,55)(H,52,54)(H,53,59)(H,60,61)/t25-,26-,33-,34+,35+,36-,38-,39+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090721 (2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(40)37(54)48-33(22(6)8-2)38(55)46-28(14-23-17-42-26-12-10-9-11-25(23)26)35(52)45-29(15-24-18-41-19-43-24)36(53)44-27(13-20(3)4)34(51)47-30(39(56)57)16-31(49)50/h9-12,17-22,27-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,53)(H,45,52)(H,46,55)(H,47,51)(H,48,54)(H,49,50)(H,56,57)/t21?,22?,27?,28?,29-,30?,32?,33?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090712 (2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(45)42(58)52-38(25(6)8-2)43(59)50-34(19-27-22-47-31-16-12-10-14-29(27)31)41(57)49-33(18-26-21-46-30-15-11-9-13-28(26)30)40(56)48-32(17-23(3)4)39(55)51-35(44(60)61)20-36(53)54/h9-16,21-25,32-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,56)(H,49,57)(H,50,59)(H,51,55)(H,52,58)(H,53,54)(H,60,61)/t24?,25?,32?,33-,34?,35?,37?,38?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090722 (CHEMBL329695 | [5,8-Di-sec-butyl-11,14-bis-(1H-ind...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](NC1=O)[C@@H](C)CC Show InChI InChI=1S/C44H58N8O8/c1-7-24(5)37-43(59)50-34(19-27-22-46-31-16-12-10-14-29(27)31)41(57)48-33(18-26-21-45-30-15-11-9-13-28(26)30)40(56)47-32(17-23(3)4)39(55)49-35(20-36(53)54)42(58)51-38(25(6)8-2)44(60)52-37/h9-16,21-25,32-35,37-38,45-46H,7-8,17-20H2,1-6H3,(H,47,56)(H,48,57)(H,49,55)(H,50,59)(H,51,58)(H,52,60)(H,53,54)/t24-,25-,32-,33+,34+,35+,37+,38-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50001220 (3-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylami...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C46H62N8O10/c1-8-25(5)39(44(61)52-37(46(63)64)20-29-23-48-33-17-13-11-15-31(29)33)54-45(62)40(26(6)9-2)53-43(60)36(21-38(56)57)51-41(58)34(18-24(3)4)50-42(59)35(49-27(7)55)19-28-22-47-32-16-12-10-14-30(28)32/h10-17,22-26,34-37,39-40,47-48H,8-9,18-21H2,1-7H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t25-,26-,34-,35+,36-,37-,39-,40-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090719 (2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-3-yl)-pro...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C48H69N11O8/c1-8-27(5)40(45(64)57-39(47(66)67)23-31-25-53-35-18-13-11-16-33(31)35)59-46(65)41(28(6)9-2)58-42(61)36(19-14-20-51-48(49)50)55-43(62)37(21-26(3)4)56-44(63)38(54-29(7)60)22-30-24-52-34-17-12-10-15-32(30)34/h10-13,15-18,24-28,36-41,52-53H,8-9,14,19-23H2,1-7H3,(H,54,60)(H,55,62)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,66,67)(H4,49,50,51)/t27-,28-,36-,37-,38+,39-,40-,41-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090716 (2-{2-[2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(45)42(58)52-38(25(6)8-2)43(59)50-34(19-27-22-47-31-16-12-10-14-29(27)31)41(57)49-33(18-26-21-46-30-15-11-9-13-28(26)30)40(56)48-32(17-23(3)4)39(55)51-35(44(60)61)20-36(53)54/h9-16,21-25,32-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,56)(H,49,57)(H,50,59)(H,51,55)(H,52,58)(H,53,54)(H,60,61)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090720 (2-(2-{2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C42H59N7O9/c1-7-24(5)35(43)40(55)49-36(25(6)8-2)41(56)47-32(20-27-22-44-29-17-13-12-16-28(27)29)39(54)46-31(19-26-14-10-9-11-15-26)38(53)45-30(18-23(3)4)37(52)48-33(42(57)58)21-34(50)51/h9-17,22-25,30-33,35-36,44H,7-8,18-21,43H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,52)(H,49,55)(H,50,51)(H,57,58)/t24?,25?,30?,31-,32?,33?,35?,36?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090715 (3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C44H60N8O9/c1-7-24(5)37(42(58)50-35(44(60)61)19-27-22-47-32-16-12-10-14-29(27)32)52-43(59)38(25(6)8-2)51-41(57)34(20-36(53)54)49-40(56)33(17-23(3)4)48-39(55)30(45)18-26-21-46-31-15-11-9-13-28(26)31/h9-16,21-25,30,33-35,37-38,46-47H,7-8,17-20,45H2,1-6H3,(H,48,55)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,54)(H,60,61)/t24-,25-,30+,33-,34-,35-,37-,38-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090714 (2-(2-{2-[2-[2-(2-Amino-3-methyl-pentanoylamino)-3-...) Show SMILES CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C36H55N7O9/c1-8-19(5)29(37)34(49)43-30(20(6)9-2)35(50)41-26(15-22-17-38-24-13-11-10-12-23(22)24)32(47)39-21(7)31(46)40-25(14-18(3)4)33(48)42-27(36(51)52)16-28(44)45/h10-13,17-21,25-27,29-30,38H,8-9,14-16,37H2,1-7H3,(H,39,47)(H,40,46)(H,41,50)(H,42,48)(H,43,49)(H,44,45)(H,51,52)/t19?,20?,21-,25?,26?,27?,29?,30?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes				J Med Chem 43: 2824-30 (2000) BindingDB Entry DOI: 10.7270/Q2FF3RK0
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50105862 (CHEMBL410632 | pGlu-His-Trp-Ser-Tyr-D-Lys(2-(hydro...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNOC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O Show InChI InChI=1S/C74H90N18O21/c1-36(2)23-50(65(103)86-48(12-7-20-79-74(76)77)71(109)92-22-8-13-55(92)70(108)81-33-58(75)98)87-64(102)47(11-5-6-21-83-112-72(110)38-25-44-60(56(96)27-38)63(101)61-45(62(44)100)29-42(95)30-57(61)97)85-66(104)51(24-37-14-16-41(94)17-15-37)88-69(107)54(34-93)90-67(105)52(26-39-31-80-46-10-4-3-9-43(39)46)89-68(106)53(28-40-32-78-35-82-40)91-113-73(111)49-18-19-59(99)84-49/h3-4,9-10,14-17,25,27,29-32,35-36,47-55,80,83,91,93-97H,5-8,11-13,18-24,26,28,33-34H2,1-2H3,(H2,75,98)(H,78,82)(H,81,108)(H,84,99)(H,85,104)(H,86,103)(H,87,102)(H,88,107)(H,89,106)(H,90,105)(H4,76,77,79)/t47-,48-,49?,50-,51-,52-,53-,54-,55-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...				J Med Chem 44: 3645-52 (2001) BindingDB Entry DOI: 10.7270/Q2W66K2Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50105860 (CHEMBL385043 | pGlu-His-Trp-Ser-Tyr-D-Lys-Leu-Arg-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O Show InChI InChI=1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40?,41+,42+,43+,44+,45+,46+,47-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...				J Med Chem 44: 3645-52 (2001) BindingDB Entry DOI: 10.7270/Q2W66K2Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50105861 (CHEMBL414239 | pGlu-His-Trp-Ser-Tyr-D-Lys(N-(2 chl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CC=Nc1c(O)c2ccccc2c(O)c1Cl)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |w:17.16| Show InChI InChI=1S/C72H92ClN19O17/c1-38(2)29-50(64(101)86-48(16-9-26-80-72(75)76)70(107)92-28-10-17-55(92)69(106)82-35-56(74)95)87-63(100)47(15-7-8-25-78-57(96)24-27-79-60-59(73)61(98)44-12-3-4-13-45(44)62(60)99)85-65(102)51(30-39-18-20-42(94)21-19-39)88-68(105)54(36-93)90-66(103)52(31-40-33-81-46-14-6-5-11-43(40)46)89-67(104)53(32-41-34-77-37-83-41)91-109-71(108)49-22-23-58(97)84-49/h3-6,11-14,18-21,27,33-34,37-38,47-55,81,91,93-94,98-99H,7-10,15-17,22-26,28-32,35-36H2,1-2H3,(H2,74,95)(H,77,83)(H,78,96)(H,82,106)(H,84,97)(H,85,102)(H,86,101)(H,87,100)(H,88,105)(H,89,104)(H,90,103)(H4,75,76,80)/t47-,48-,49?,50-,51-,52-,53-,54-,55-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...				J Med Chem 44: 3645-52 (2001) BindingDB Entry DOI: 10.7270/Q2W66K2Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50105863 (CHEMBL438099 | pGlu-His-Trp-Ser-Tyr-D-Lys(emodic a...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNCc1cc(O)c2C(=O)c3c(O)cc(cc3C(=O)c2c1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NOC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O Show InChI InChI=1S/C75H92N18O20/c1-37(2)23-51(66(103)87-49(12-7-21-81-75(77)78)72(109)93-22-8-13-56(93)71(108)83-34-59(76)98)88-65(102)48(11-5-6-20-79-31-39-24-45-61(57(96)26-39)64(101)62-46(63(45)100)27-40(73(110)111)29-58(62)97)86-67(104)52(25-38-14-16-43(95)17-15-38)89-70(107)55(35-94)91-68(105)53(28-41-32-82-47-10-4-3-9-44(41)47)90-69(106)54(30-42-33-80-36-84-42)92-113-74(112)50-18-19-60(99)85-50/h3-4,9-10,14-17,24,26-27,29,32-33,36-37,48-56,79,82,92,94-97H,5-8,11-13,18-23,25,28,30-31,34-35H2,1-2H3,(H2,76,98)(H,80,84)(H,83,108)(H,85,99)(H,86,104)(H,87,103)(H,88,102)(H,89,107)(H,90,106)(H,91,105)(H,110,111)(H4,77,78,81)/t48-,49-,50?,51-,52-,53-,54-,55-,56-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I]-[D-Lys6]-GnRH radioligand in rat pitui...				J Med Chem 44: 3645-52 (2001) BindingDB Entry DOI: 10.7270/Q2W66K2Z
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50422274 (GONADORELIN | Human gonadoliberin-i) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257775 (CHEMBL4100462) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)-c1cccnc1 Show InChI InChI=1S/C24H20FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)16-6-9-19(25)10-7-16)30-14-18(8-11-22(30)27-20)17-5-4-12-26-13-17/h4-15H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257807 (CHEMBL4073638) Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H31ClN6O3S/c1-4-22-26(33(3)27-32-23(17-39-27)18-6-9-20(29)10-7-18)35-16-19(8-11-24(35)31-22)25(36)30-21-12-14-34(15-13-21)28(37)38-5-2/h6-11,16-17,21H,4-5,12-15H2,1-3H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090745 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C48H59ClN12O8/c1-28(42(50)64)56-46(68)40-13-8-22-61(40)47(69)36(12-7-21-54-48(51)52)58-41(63)27-55-43(65)39(26-35-11-5-6-20-53-35)60-45(67)38(24-30-15-18-34(49)19-16-30)59-44(66)37(57-29(2)62)25-31-14-17-32-9-3-4-10-33(32)23-31/h3-6,9-11,14-20,23,28,36-40H,7-8,12-13,21-22,24-27H2,1-2H3,(H2,50,64)(H,55,65)(H,56,68)(H,57,62)(H,58,63)(H,59,66)(H,60,67)(H4,51,52,54)/t28-,36+,37-,38+,39+,40+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257776 (CHEMBL4084005) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCOCC1 Show InChI InChI=1S/C23H24FN5OS/c1-3-19-22(27(2)23-26-20(15-31-23)16-4-6-17(24)7-5-16)29-14-18(8-9-21(29)25-19)28-10-12-30-13-11-28/h4-9,14-15H,3,10-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399411 (CHEMBL2178304 | PT405) Show SMILES CCc1cc(O)c(Oc2ccccc2F)cc1F Show InChI InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50257813 (CHEMBL4062291) Show SMILES CCOC(=O)N1CCC(CC1)NCc1ccc2nc(CC)c(N(C)c3nc(cs3)-c3ccc(Cl)cc3)n2c1 Show InChI InChI=1S/C28H33ClN6O2S/c1-4-23-26(33(3)27-32-24(18-38-27)20-7-9-21(29)10-8-20)35-17-19(6-11-25(35)31-23)16-30-22-12-14-34(15-13-22)28(36)37-5-2/h6-11,17-18,22,30H,4-5,12-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore...				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090748 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES CCCCC(NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C52H67ClN12O8/c1-4-5-15-39(46(68)62-40(16-10-25-58-52(55)56)51(73)65-26-11-17-44(65)50(72)59-31(2)45(54)67)61-49(71)43(30-38-14-8-9-24-57-38)64-48(70)42(28-33-19-22-37(53)23-20-33)63-47(69)41(60-32(3)66)29-34-18-21-35-12-6-7-13-36(35)27-34/h6-9,12-14,18-24,27,31,39-44H,4-5,10-11,15-17,25-26,28-30H2,1-3H3,(H2,54,67)(H,59,72)(H,60,66)(H,61,71)(H,62,68)(H,63,69)(H,64,70)(H4,55,56,58)/t31-,39?,40+,41-,42+,43+,44+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399407 (CHEMBL2178284 | MUT056399) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM193000 (US10526329, Compound 180 | US11072611, Compound 18...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H29FN6OS/c1-3-21-24(29(2)25-28-22(17-34-25)18-4-6-19(26)7-5-18)32-16-20(8-9-23(32)27-21)31-12-10-30(11-13-31)14-15-33/h4-9,16-17,33H,3,10-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluore...				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399400 (CHEMBL2178291) Show SMILES CCc1cc(O)c(Oc2cccnc2F)cc1F Show InChI InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090736 (1-{2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCNNC(=O)c1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C55H65ClN12O9/c1-33(48(57)70)61-54(76)47-17-11-27-68(47)55(77)43(16-7-9-26-60-67-50(72)40-14-10-24-58-32-40)64-49(71)34(2)62-51(73)46(31-42-15-6-8-25-59-42)66-53(75)45(29-36-19-22-41(56)23-20-36)65-52(74)44(63-35(3)69)30-37-18-21-38-12-4-5-13-39(38)28-37/h4-6,8,10,12-15,18-25,28,32-34,43-47,60H,7,9,11,16-17,26-27,29-31H2,1-3H3,(H2,57,70)(H,61,76)(H,62,73)(H,63,69)(H,64,71)(H,65,74)(H,66,75)(H,67,72)/t33-,34-,43+,44-,45+,46+,47+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 | US8623865, 1) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090732 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C48H59ClN12O8/c1-28(42(50)64)56-46(68)40-13-8-22-61(40)47(69)36(12-7-21-54-48(51)52)58-41(63)27-55-43(65)39(26-35-11-5-6-20-53-35)60-45(67)38(24-30-15-18-34(49)19-16-30)59-44(66)37(57-29(2)62)25-31-14-17-32-9-3-4-10-33(32)23-31/h3-6,9-11,14-20,23,28,36-40H,7-8,12-13,21-22,24-27H2,1-2H3,(H2,50,64)(H,55,65)(H,56,68)(H,57,62)(H,58,63)(H,59,66)(H,60,67)(H4,51,52,54)/t28-,36-,37-,38+,39+,40+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090724 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61ClN12O8/c1-28(42(51)64)56-47(69)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)59-43(65)29(2)57-44(66)40(27-36-12-6-7-21-54-36)61-46(68)39(25-31-16-19-35(50)20-17-31)60-45(67)38(58-30(3)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,64)(H,56,69)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,61,68)(H4,52,53,55)/t28-,29-,37+,38-,39+,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090730 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61ClN10O8/c1-29(43(52)62)54-48(67)42-15-10-24-60(42)49(68)38(14-6-8-22-51)57-44(63)30(2)55-45(64)41(28-37-13-7-9-23-53-37)59-47(66)40(26-32-17-20-36(50)21-18-32)58-46(65)39(56-31(3)61)27-33-16-19-34-11-4-5-12-35(34)25-33/h4-5,7,9,11-13,16-21,23,25,29-30,38-42H,6,8,10,14-15,22,24,26-28,51H2,1-3H3,(H2,52,62)(H,54,67)(H,55,64)(H,56,61)(H,57,63)(H,58,65)(H,59,66)/t29-,30-,38+,39-,40+,41+,42+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50133022 (CHEMBL413854 | Compound GnRH-PpIX) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCc1c(C)c2cc3[nH]c(cc4cc(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)c(C=C)c3C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C1CC[C@H](N1)C(=O)NCC(N)=O Show InChI InChI=1S/C95H119N21O16/c1-9-60-50(5)55-37-56(60)39-71-53(8)63(27-32-85(122)123)76(106-71)43-75-62(52(7)73(108-75)42-72-51(6)61(10-2)74(38-55)107-72)18-15-22-83(120)100-33-14-13-20-68(88(126)112-77(35-49(3)4)90(128)110-66(21-16-34-101-95(97)98)86(124)67-28-29-69(105-67)87(125)103-46-82(96)119)111-91(129)78(36-54-23-25-59(118)26-24-54)113-94(132)81(47-117)116-92(130)79(40-57-44-102-65-19-12-11-17-64(57)65)114-93(131)80(41-58-45-99-48-104-58)115-89(127)70-30-31-84(121)109-70/h9-12,17,19,23-26,37-39,42-45,48-49,66-70,77-81,102,105,107-108,117-118H,1-2,13-16,18,20-22,27-36,40-41,46-47H2,3-8H3,(H2,96,119)(H,99,104)(H,100,120)(H,103,125)(H,109,121)(H,110,128)(H,111,129)(H,112,126)(H,113,132)(H,114,131)(H,115,127)(H,116,130)(H,122,123)(H4,97,98,101)/b55-38+,56-39+,71-39-,72-42-,73-42-,74-38-,75-43-,76-43-/t66-,67?,68-,69-,70?,77-,78-,79-,80-,81-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Ability to bind to Gonadotropin-releasing hormone receptor was evaluated invitro by displacement assay using [125I]-[D-Lys6]-GnRH as radioligand				J Med Chem 46: 3965-74 (2003) Article DOI: 10.1021/jm020535y BindingDB Entry DOI: 10.7270/Q2N58KR5
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM192946 (US11072611, Compound 141 | US9670204, 141 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Rattus norvegicus)	BDBM192946 (US11072611, Compound 141 | US9670204, 141 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090734 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(CCCNC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H60ClN11O9/c1-28(42(51)63)55-47(68)41-14-9-23-61(41)48(69)37(13-8-22-54-49(52)70)58-43(64)29(2)56-44(65)40(27-36-12-6-7-21-53-36)60-46(67)39(25-31-16-19-35(50)20-17-31)59-45(66)38(57-30(3)62)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,63)(H,55,68)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,60,67)(H3,52,54,70)/t28-,29-,37?,38-,39+,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090723 (1-{2-[2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C55H65ClN12O9/c1-32(48(57)71)62-53(76)47-13-8-26-68(47)54(77)42(12-7-25-61-55(58)59)64-50(73)44(29-35-17-22-41(70)23-18-35)66-52(75)46(31-40-11-5-6-24-60-40)67-51(74)45(28-34-15-20-39(56)21-16-34)65-49(72)43(63-33(2)69)30-36-14-19-37-9-3-4-10-38(37)27-36/h3-6,9-11,14-24,27,32,42-47,70H,7-8,12-13,25-26,28-31H2,1-2H3,(H2,57,71)(H,62,76)(H,63,69)(H,64,73)(H,65,72)(H,66,75)(H,67,74)(H4,58,59,61)/t32-,42+,43-,44-,45+,46+,47+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192943 (US10526329, Compound 139 | US9670204, 138 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C29H31FN8O2S/c1-3-23-28(34(2)29-33-27(24(14-31)41-29)19-4-6-20(30)7-5-19)38-15-21(8-9-25(38)32-23)36-12-10-35(11-13-36)18-26(40)37-16-22(39)17-37/h4-9,15,22,39H,3,10-13,16-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric...				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192946 (US11072611, Compound 141 | US9670204, 141 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192946 (US11072611, Compound 141 | US9670204, 141 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU , 102 Avenue Gaston Roussel, 93230 Romainville, France. Curated by ChEMBL					Assay Description Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay				J Med Chem 60: 7371-7392 (2017) Article DOI: 10.1021/acs.jmedchem.7b00647 BindingDB Entry DOI: 10.7270/Q2R213VZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM192946 (US11072611, Compound 141 | US9670204, 141 2-((2-et...) Show SMILES CCc1nc2ccc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC(O)C2)CC1 Show InChI InChI=1S/C30H32FN7O2S/c1-3-24-29(35(2)30-34-28(25(14-32)41-30)20-4-7-22(31)8-5-20)38-15-21(6-9-26(38)33-24)19-10-12-36(13-11-19)18-27(40)37-16-23(39)17-37/h4-9,15,19,23,39H,3,10-13,16-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Galapagos SASU Curated by ChEMBL					Assay Description Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric...				J Med Chem 60: 3580-3590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00032 BindingDB Entry DOI: 10.7270/Q25141PD
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 | US8623865, 2) Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1 Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090752 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61ClN12O8/c1-28(42(51)64)56-47(69)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)59-43(65)29(2)57-44(66)40(27-36-12-6-7-21-54-36)61-46(68)39(25-31-16-19-35(50)20-17-31)60-45(67)38(58-30(3)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,28-29,37-41H,8-9,13-14,22-23,25-27H2,1-3H3,(H2,51,64)(H,56,69)(H,57,66)(H,58,63)(H,59,65)(H,60,67)(H,61,68)(H4,52,53,55)/t28-,29+,37+,38-,39+,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090728 (1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61N11O8/c1-30(43(50)63)55-47(67)41-20-12-24-60(41)48(68)37(19-11-23-53-49(51)52)57-42(62)29-54-44(64)38(26-32-13-5-3-6-14-32)58-46(66)40(27-33-15-7-4-8-16-33)59-45(65)39(56-31(2)61)28-34-21-22-35-17-9-10-18-36(35)25-34/h3-10,13-18,21-22,25,30,37-41H,11-12,19-20,23-24,26-29H2,1-2H3,(H2,50,63)(H,54,64)(H,55,67)(H,56,61)(H,57,62)(H,58,66)(H,59,65)(H4,51,52,53)/t30-,37+,38+,39-,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399410 (CHEMBL2178305) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C#N)cc1F Show InChI InChI=1S/C15H11F2NO2/c1-2-10-6-13(19)15(7-11(10)16)20-14-4-3-9(8-18)5-12(14)17/h3-7,19H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090725 (1-{2-[2-({2-[2-(2-Acetylamino-3-naphthalen-2-yl-pr...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CN(C)C(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61ClN12O8/c1-29(43(51)65)56-46(68)41-14-9-23-62(41)48(70)37(13-8-22-55-49(52)53)58-42(64)28-61(3)47(69)40(27-36-12-6-7-21-54-36)60-45(67)39(25-31-16-19-35(50)20-17-31)59-44(66)38(57-30(2)63)26-32-15-18-33-10-4-5-11-34(33)24-32/h4-7,10-12,15-21,24,29,37-41H,8-9,13-14,22-23,25-28H2,1-3H3,(H2,51,65)(H,56,68)(H,57,63)(H,58,64)(H,59,66)(H,60,67)(H4,52,53,55)/t29-,37+,38-,39+,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399412 (CHEMBL2178303 | PT411) Show SMILES CCc1cc(O)c(Oc2ccccc2)cc1F Show InChI InChI=1S/C14H13FO2/c1-2-10-8-13(16)14(9-12(10)15)17-11-6-4-3-5-7-11/h3-9,16H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090737 (1-[2-(3-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CCNC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C49H61ClN12O8/c1-29(43(51)65)57-47(69)41-13-8-24-62(41)48(70)37(12-7-22-56-49(52)53)59-42(64)20-23-55-44(66)40(28-36-11-5-6-21-54-36)61-46(68)39(26-31-15-18-35(50)19-16-31)60-45(67)38(58-30(2)63)27-32-14-17-33-9-3-4-10-34(33)25-32/h3-6,9-11,14-19,21,25,29,37-41H,7-8,12-13,20,22-24,26-28H2,1-2H3,(H2,51,65)(H,55,66)(H,57,69)(H,58,63)(H,59,64)(H,60,67)(H,61,68)(H4,52,53,56)/t29-,37+,38-,39+,40+,41+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Gonadotropin-releasing hormone receptor (Rattus norvegicus)	BDBM50090727 (1-{2-[(1-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pr...) Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)C1(CCC1)NC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O Show InChI InChI=1S/C51H63ClN12O8/c1-30(43(53)66)58-47(70)42-14-8-25-64(42)48(71)38(13-7-24-57-50(54)55)62-49(72)51(21-9-22-51)63-46(69)41(29-37-12-5-6-23-56-37)61-45(68)40(27-32-16-19-36(52)20-17-32)60-44(67)39(59-31(2)65)28-33-15-18-34-10-3-4-11-35(34)26-33/h3-6,10-12,15-20,23,26,30,38-42H,7-9,13-14,21-22,24-25,27-29H2,1-2H3,(H2,53,66)(H,58,70)(H,59,65)(H,60,67)(H,61,68)(H,62,72)(H,63,69)(H4,54,55,57)/t30-,38+,39-,40+,41+,42+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science Curated by ChEMBL					Assay Description Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes				J Med Chem 43: 2831-6 (2000) BindingDB Entry DOI: 10.7270/Q29P30W3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1592 total )  |  Next  |  Last  >>

Jump to: