Compile Data Set for Download or QSAR

Found 665 hits with Last Name = 'murphy' and Initial = 'r'   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012965 (5-Iodo-2,3-dihydro-benzofuran-7-carboxylic acid (1...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc2CCOc12 Show InChI InChI=1S/C16H21IN2O2/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14/h8-9,13H,2-7,10H2,1H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012965 (5-Iodo-2,3-dihydro-benzofuran-7-carboxylic acid (1...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc2CCOc12 Show InChI InChI=1S/C16H21IN2O2/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14/h8-9,13H,2-7,10H2,1H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012961 ((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro inhibition of rat liver dihydrofolate reductase.				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50001447 (CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50007400 (4-Phenyl-1-(4-phenyl-butyl)-piperidine | 4-Phenyl-...) Show SMILES C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50366495 ((+)butaclamol | CHEMBL1255588) Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010720 (5-Bromo-2,3-dihydro-benzofuran-7-carboxylic acid (...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2CCOc12 Show InChI InChI=1S/C16H21BrN2O2/c1-2-19-6-3-4-13(19)10-18-16(20)14-9-12(17)8-11-5-7-21-15(11)14/h8-9,13H,2-7,10H2,1H3,(H,18,20)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50002245 (4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...) Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079406 (Asp-Thr-D-Phe-Val-Gly-Leu-Nle-NH2 | Asp-Thr-Phe-Va...) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H60N8O10/c1-19(2)13-14-25(32(39)50)42-34(52)26(15-20(3)4)41-28(47)18-40-36(54)30(21(5)6)44-35(53)27(16-23-11-9-8-10-12-23)43-37(55)31(22(7)46)45-33(51)24(38)17-29(48)49/h8-12,19-22,24-27,30-31,46H,13-18,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,52)(H,43,55)(H,44,53)(H,45,51)(H,48,49)/t22-,24+,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012962 (3-Methoxy-naphthalene-2-carboxylic acid (1-ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OC Show InChI InChI=1S/C19H24N2O2/c1-3-21-10-6-9-16(21)13-20-19(22)17-11-14-7-4-5-8-15(14)12-18(17)23-2/h4-5,7-8,11-12,16H,3,6,9-10,13H2,1-2H3,(H,20,22)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079412 ((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079409 (Asp-Thr-p-F-Phe-Val-Gly-Leu-Nle-NH2 | CHEMBL103634) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H59FN8O10/c1-18(2)8-13-25(32(40)51)43-34(53)26(14-19(3)4)42-28(48)17-41-36(55)30(20(5)6)45-35(54)27(15-22-9-11-23(38)12-10-22)44-37(56)31(21(7)47)46-33(52)24(39)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,53)(H,44,56)(H,45,54)(H,46,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345738 (1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...) Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345738 (1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...) Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012971 (7-Bromo-3-methoxy-naphthalene-2-carboxylic acid (1...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2cc1OC Show InChI InChI=1S/C19H23BrN2O2/c1-3-22-8-4-5-16(22)12-21-19(23)17-10-14-9-15(20)7-6-13(14)11-18(17)24-2/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012959 (2,3-Dihydro-benzofuran-7-carboxylic acid (1-ethyl-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cccc2CCOc12 Show InChI InChI=1S/C16H22N2O2/c1-2-18-9-4-6-13(18)11-17-16(19)14-7-3-5-12-8-10-20-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,17,19)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079408 (Asp-Thr-p-NH2-Phe-Val-Gly-Leu-Nle-NH2 | CHEMBL1039...) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H61N9O10/c1-18(2)8-13-25(32(40)51)43-34(53)26(14-19(3)4)42-28(48)17-41-36(55)30(20(5)6)45-35(54)27(15-22-9-11-23(38)12-10-22)44-37(56)31(21(7)47)46-33(52)24(39)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,38-39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,53)(H,44,56)(H,45,54)(H,46,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012963 (7-Iodo-3-methoxy-naphthalene-2-carboxylic acid (1-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc2cc(I)ccc2cc1OC Show InChI InChI=1S/C19H23IN2O2/c1-3-22-8-4-5-16(22)12-21-19(23)17-10-14-9-15(20)7-6-13(14)11-18(17)24-2/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345742 (1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...) Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345740 (3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012960 (7-Bromo-3-hydroxy-naphthalene-2-carboxylic acid (1...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc2cc(Br)ccc2cc1O Show InChI InChI=1S/C18H21BrN2O2/c1-2-21-7-3-4-15(21)11-20-18(23)16-9-13-8-14(19)6-5-12(13)10-17(16)22/h5-6,8-10,15,22H,2-4,7,11H2,1H3,(H,20,23)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	491	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50012970 (2-Methoxy-naphthalene-1-carboxylic acid (1-ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc2ccccc12 Show InChI InChI=1S/C19H24N2O2/c1-3-21-12-6-8-15(21)13-20-19(22)18-16-9-5-4-7-14(16)10-11-17(18)23-2/h4-5,7,9-11,15H,3,6,8,12-13H2,1-2H3,(H,20,22)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	507	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345735 (1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...) Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345739 (1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50345739 (1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radi...				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand				J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50002245 (4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...) Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50002218 (2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1 Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin				J Med Chem 36: 3923-8 (1994) BindingDB Entry DOI: 10.7270/Q2H13122
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383382 (CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...) Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12 Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079410 (Asp-Thr-p-Cl-Phe-Val-Gly-Leu-Nle-NH2 | CHEMBL10212...) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H59ClN8O10/c1-18(2)8-13-25(32(40)51)43-34(53)26(14-19(3)4)42-28(48)17-41-36(55)30(20(5)6)45-35(54)27(15-22-9-11-23(38)12-10-22)44-37(56)31(21(7)47)46-33(52)24(39)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,53)(H,44,56)(H,45,54)(H,46,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345742 (1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...) Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50345740 (3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079411 (Asp-Thr-p-NO2-Phe-Val-Gly-Leu-Nle-NH2 | CHEMBL4306...) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H59N9O12/c1-18(2)8-13-25(32(39)51)42-34(53)26(14-19(3)4)41-28(48)17-40-36(55)30(20(5)6)44-35(54)27(15-22-9-11-23(12-10-22)46(57)58)43-37(56)31(21(7)47)45-33(52)24(38)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,38H2,1-7H3,(H2,39,51)(H,40,55)(H,41,48)(H,42,53)(H,43,56)(H,44,54)(H,45,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50079407 (Asp-Thr-Trp-Val-Gly-Leu-Nle-NH2 | CHEMBL319256) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C39H61N9O10/c1-19(2)12-13-27(34(41)53)45-36(55)28(14-20(3)4)44-30(50)18-43-38(57)32(21(5)6)47-37(56)29(15-23-17-42-26-11-9-8-10-24(23)26)46-39(58)33(22(7)49)48-35(54)25(40)16-31(51)52/h8-11,17,19-22,25,27-29,32-33,42,49H,12-16,18,40H2,1-7H3,(H2,41,53)(H,43,57)(H,44,50)(H,45,55)(H,46,58)(H,47,56)(H,48,54)(H,51,52)/t22-,25+,27+,28+,29+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50408715 (CHEMBL2111616) Show SMILES CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C37H60N8O10/c1-19(2)13-14-25(32(39)50)42-34(52)26(15-20(3)4)41-28(47)18-40-36(54)30(21(5)6)44-35(53)27(16-23-11-9-8-10-12-23)43-37(55)31(22(7)46)45-33(51)24(38)17-29(48)49/h8-12,19-22,24-27,30-31,46H,13-18,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,52)(H,43,55)(H,44,53)(H,45,51)(H,48,49)/t22-,24+,25+,26+,27-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards NK-2 receptors using [3H]NKA as radioligand in cloned human CHO cells				J Med Chem 42: 3004-7 (1999) Article DOI: 10.1021/jm9807151 BindingDB Entry DOI: 10.7270/Q2154HQS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50180753 ((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383376 (CHEMBL2030558 | CHEMBL2069945 | US10544104, Compou...) Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383377 (CHEMBL2030560 | US10544104, Compound 92 | US976503...) Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383379 (CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...) Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12 Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50180753 ((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50383377 (CHEMBL2030560 | US10544104, Compound 92 | US976503...) Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human ABL by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50383378 (CHEMBL2030561) Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of human SRC by radiometric assay				J Med Chem 55: 2803-10 (2012) Article DOI: 10.1021/jm201725v BindingDB Entry DOI: 10.7270/Q2ST7QVK
					More data for this Ligand-Target Pair

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