Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'turcatti' and Initial = 'g'   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469874 (CHEMBL59780) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075725 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075728 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-49-52(37-44)75(107-73(49)105)50-27-24-47(92)38-60(50)106-61-39-48(93)25-28-51(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469872 (CHEMBL413650) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C56H65N13O11/c1-3-4-20-40(49(58)70)61-54(75)45-22-13-26-67(45)56(77)46-23-14-27-68(46)55(76)43(28-33-15-7-5-8-16-33)64-53(74)41(29-35-31-59-39-21-12-11-19-36(35)39)62-50(71)32(2)60-52(73)42(63-51(72)34-17-9-6-10-18-34)30-38(57)37-24-25-44(69(78)79)48-47(37)65-80-66-48/h5-12,15-19,21,24-25,31-32,38,40-43,45-46,59H,3-4,13-14,20,22-23,26-30,57H2,1-2H3,(H2,58,70)(H,60,73)(H,61,75)(H,62,71)(H,63,72)(H,64,74)/t32-,38?,40-,41-,42-,43-,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075727 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Rhm)-Pro...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469869 (CHEMBL217548) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C57H67N13O11/c1-3-4-20-41(50(59)71)62-55(76)46-22-13-28-68(46)57(78)47-23-14-29-69(47)56(77)44(30-34-15-7-5-8-16-34)65-54(75)43(31-36-32-60-40-21-12-11-19-37(36)40)64-51(72)33(2)61-53(74)42(63-52(73)35-17-9-6-10-18-35)26-25-39(58)38-24-27-45(70(79)80)49-48(38)66-81-67-49/h5-12,15-19,21,24,27,32-33,39,41-44,46-47,60H,3-4,13-14,20,22-23,25-26,28-31,58H2,1-2H3,(H2,59,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)/t33-,39?,41-,42-,43-,44-,46-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469867 (CHEMBL268783) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C58H69N13O11/c1-3-4-22-42(51(60)72)63-56(77)47-25-14-29-69(47)58(79)48-26-15-30-70(48)57(78)45(31-35-16-7-5-8-17-35)66-55(76)44(32-37-33-61-41-23-12-11-20-38(37)41)65-52(73)34(2)62-54(75)43(64-53(74)36-18-9-6-10-19-36)24-13-21-40(59)39-27-28-46(71(80)81)50-49(39)67-82-68-50/h5-12,16-20,23,27-28,33-34,40,42-45,47-48,61H,3-4,13-15,21-22,24-26,29-32,59H2,1-2H3,(H2,60,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t34-,40?,42-,43-,44-,45-,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075729 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(6C-Rhm)-Pro...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075723 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Flu)-Pro...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)85-55(35-42-9-3-2-4-10-42)67(99)84-54(29-30-62(77)94)66(98)86-56(40-63(78)95)71(103)89(58(12-5-6-32-76)72(104)88-34-8-13-57(88)68(100)83-53(65(79)97)11-7-33-82-74(80)81)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,100)(H,84,99)(H,85,101)(H,86,98)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for its ability to displace [125I]- HO-LVA ligand from human Vasopressin V1b receptor in the membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469870 (CHEMBL275499) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C55H63N13O11/c1-3-4-20-38(48(57)69)60-52(73)42-22-13-26-66(42)55(76)43-23-14-27-67(43)54(75)40(28-32-15-7-5-8-16-32)62-51(72)39(29-34-30-58-37-21-12-11-19-35(34)37)61-49(70)31(2)59-53(74)47(63-50(71)33-17-9-6-10-18-33)44(56)36-24-25-41(68(77)78)46-45(36)64-79-65-46/h5-12,15-19,21,24-25,30-31,38-40,42-44,47,58H,3-4,13-14,20,22-23,26-29,56H2,1-2H3,(H2,57,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,71)/t31-,38-,39-,40-,42-,43-,44?,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469868 (CHEMBL413205) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)C(\S)=N\c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)c1ccccc1)C(N)=O Show InChI InChI=1S/C73H79N11O13S/c1-3-4-22-55(63(75)87)79-68(92)59-25-14-33-83(59)71(94)60-26-15-34-84(60)70(93)58(35-42-16-7-5-8-17-42)82-67(91)57(36-44-40-76-54-23-12-11-20-48(44)54)81-64(88)41(2)77-66(90)56(80-65(89)43-18-9-6-10-19-43)24-13-21-53(74)69(98)78-45-27-30-50-49(37-45)72(95)97-73(50)51-31-28-46(85)38-61(51)96-62-39-47(86)29-32-52(62)73/h5-12,16-20,23,27-32,37-41,53,55-60,76,85-86H,3-4,13-15,21-22,24-26,33-36,74H2,1-2H3,(H2,75,87)(H,77,90)(H,78,98)(H,79,92)(H,80,89)(H,81,88)(H,82,91)/t41-,53?,55-,56-,57-,58-,59-,60-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469871 (CHEMBL386783) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc([N+]([O-])=O)c2nonc12)C(N)=O Show InChI InChI=1S/C48H58N12O10/c1-4-5-16-34(42(49)61)53-46(65)38-18-11-22-58(38)48(67)39-19-12-23-59(39)47(66)36(24-29-13-7-6-8-14-29)55-45(64)35(25-30-26-50-32-17-10-9-15-31(30)32)54-44(63)28(3)52-43(62)27(2)51-33-20-21-37(60(68)69)41-40(33)56-70-57-41/h6-10,13-15,17,20-21,26-28,34-36,38-39,50-51H,4-5,11-12,16,18-19,22-25H2,1-3H3,(H2,49,61)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t27-,28-,34-,35-,36-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50075720 ((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Compound was tested for its ability to of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V2 receptor				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50075721 ((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50075726 (CHEMBL409756 | tetraethylrhodamyl-DTyr(Me)-Phe-Gln...) Show SMILES CCN(CC)C1=CC2Oc3cc(ccc3[C+](C2C=C1)c1ccccc1C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)N(CC)CC |c:19,t:5| Show InChI InChI=1S/C82H107N19O14/c1-6-99(7-2)51-29-35-57-67(45-51)115-68-46-52(100(8-3)9-4)30-36-58(68)71(57)55-20-13-14-21-56(55)79(113)98(5)66(44-50-27-33-54(103)34-28-50)78(112)97-63(43-48-18-11-10-12-19-48)75(109)92-60(37-38-69(83)104)74(108)96-64(47-70(84)105)76(110)94-61(23-16-40-91-82(88)89)80(114)101-41-17-24-65(101)77(111)93-59(22-15-39-90-81(86)87)73(107)95-62(72(85)106)42-49-25-31-53(102)32-26-49/h10-14,18-21,25-36,45-46,57,59-67H,6-9,15-17,22-24,37-44,47H2,1-5H3,(H21-,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,102,103,104,105,106,107,108,109,110,111,112)/p+1/t57?,59-,60-,61-,62-,63-,64-,65-,66+,67?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50469873 (CHEMBL411905) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)\N=C(\S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(N)=O Show InChI InChI=1S/C63H68N10O12S/c1-4-5-16-47(54(64)76)69-58(80)50-18-11-26-72(50)60(82)51-19-12-27-73(51)59(81)49(28-36-13-7-6-8-14-36)71-57(79)48(29-37-33-65-46-17-10-9-15-41(37)46)70-56(78)34(2)66-55(77)35(3)67-62(86)68-38-20-23-43-42(30-38)61(83)85-63(43)44-24-21-39(74)31-52(44)84-53-32-40(75)22-25-45(53)63/h6-10,13-15,17,20-25,30-35,47-51,65,74-75H,4-5,11-12,16,18-19,26-29H2,1-3H3,(H2,64,76)(H,66,77)(H,69,80)(H,70,78)(H,71,79)(H2,67,68,86)/t34-,35-,47-,48-,49-,50-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Institute for Molecular Biology Curated by ChEMBL					Assay Description Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand				J Med Chem 37: 1991-5 (1994) Article DOI: 10.1021/jm00039a012 BindingDB Entry DOI: 10.7270/Q2DZ0C10
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50075724 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50075722 (4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...) Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of...				J Med Chem 42: 1312-9 (1999) Article DOI: 10.1021/jm9804782 BindingDB Entry DOI: 10.7270/Q2057F3Q
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50051818 (CHEMBL3318333) Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051845 (CHEMBL3318327) Show SMILES COC(=O)C(\C#N)=C(/C#N)c1ccc(Br)o1 Show InChI InChI=1S/C10H5BrN2O3/c1-15-10(14)7(5-13)6(4-12)8-2-3-9(11)16-8/h2-3H,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051846 (CHEMBL3358454) Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051847 (CHEMBL3318328) Show SMILES [#7]S(=O)(=O)c1cc2\[#6](=[#6](\C#N)C#N)-c3cc(cc(c3-c2c(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)S([#7])(=O)=O Show InChI InChI=1S/C16H8N6O8S2/c17-5-7(6-18)14-10-1-8(31(19,27)28)3-12(21(23)24)15(10)16-11(14)2-9(32(20,29)30)4-13(16)22(25)26/h1-4H,(H2,19,27,28)(H2,20,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051847 (CHEMBL3318328) Show SMILES [#7]S(=O)(=O)c1cc2\[#6](=[#6](\C#N)C#N)-c3cc(cc(c3-c2c(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)S([#7])(=O)=O Show InChI InChI=1S/C16H8N6O8S2/c17-5-7(6-18)14-10-1-8(31(19,27)28)3-12(21(23)24)15(10)16-11(14)2-9(32(20,29)30)4-13(16)22(25)26/h1-4H,(H2,19,27,28)(H2,20,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051846 (CHEMBL3358454) Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051847 (CHEMBL3318328) Show SMILES [#7]S(=O)(=O)c1cc2\[#6](=[#6](\C#N)C#N)-c3cc(cc(c3-c2c(c1)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)S([#7])(=O)=O Show InChI InChI=1S/C16H8N6O8S2/c17-5-7(6-18)14-10-1-8(31(19,27)28)3-12(21(23)24)15(10)16-11(14)2-9(32(20,29)30)4-13(16)22(25)26/h1-4H,(H2,19,27,28)(H2,20,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 5 mM GSH by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051848 (CHEMBL3318329) Show SMILES COC(=O)C(\C#N)=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C12H8N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5H,1H3,(H,14,15)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50051846 (CHEMBL3358454) Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50051818 (CHEMBL3318333) Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of mouse TDO expressed in mouse P815B cells using L-tryptophan substrate incubated for 24 hrs by HPLC based cellular assay				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247616 (2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one | ...) Show SMILES Fc1c(Cl)cccc1-n1sccc1=O Show InChI InChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM92508 (DP 00477, 3) Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=S)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM31770 (Exelderm | Sulconazole Nitrate | cid_65495 | sulco...) Show SMILES Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM92508 (DP 00477, 3) Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=S)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051845 (CHEMBL3318327) Show SMILES COC(=O)C(\C#N)=C(/C#N)c1ccc(Br)o1 Show InChI InChI=1S/C10H5BrN2O3/c1-15-10(14)7(5-13)6(4-12)8-2-3-9(11)16-8/h2-3H,1H3/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 5 mM GSH by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM31773 (ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50051842 (CHEBI:83682 | Demofix | Ertaczo | Sertaconazole) Show SMILES Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 Show InChI InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50247616 (2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one | ...) Show SMILES Fc1c(Cl)cccc1-n1sccc1=O Show InChI InChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Institute of Bioinformatics Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC				Eur J Med Chem 84: 284-301 (2014) Article DOI: 10.1016/j.ejmech.2014.06.078 BindingDB Entry DOI: 10.7270/Q21C1ZJV
					More data for this Ligand-Target Pair

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