Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'skerlj' and Initial = 'rt'   

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
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50210070 (CHEMBL3883565) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C120H186N34O31/c1-16-63(7)93-111(181)134-61-90(161)139-85(59-92(164)165)110(180)154-119(14,114(184)150-83(55-70-32-25-24-26-33-70)107(177)148-84(58-88(122)159)104(174)136-67(11)99(169)145-82(57-72-39-43-74(157)44-40-72)106(176)147-81(56-71-37-41-73(156)42-38-71)103(173)135-66(10)97(167)141-76(35-30-52-131-117(126)127)100(170)140-75(96(123)166)34-29-51-130-116(124)125)49-27-22-20-21-23-28-50-120(15,115(185)152-93)153-109(179)77(36-31-53-132-118(128)129)143-105(175)80(54-62(5)6)146-102(172)79(46-48-91(162)163)144-101(171)78(45-47-87(121)158)142-98(168)68(12)137-112(182)95(65(9)18-3)151-108(178)86(60-133-89(160)19-4)149-113(183)94(64(8)17-2)138-69(13)155/h19-21,24-26,32-33,37-44,62-68,75-86,93-95,156-157H,4,16-18,22-23,27-31,34-36,45-61H2,1-3,5-15H3,(H2,121,158)(H2,122,159)(H2,123,166)(H,133,160)(H,134,181)(H,135,173)(H,136,174)(H,137,182)(H,138,155)(H,139,161)(H,140,170)(H,141,167)(H,142,168)(H,143,175)(H,144,171)(H,145,169)(H,146,172)(H,147,176)(H,148,177)(H,149,183)(H,150,184)(H,151,178)(H,152,185)(H,153,179)(H,154,180)(H,162,163)(H,164,165)(H4,124,125,130)(H4,126,127,131)(H4,128,129,132)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,119-,120-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...				ACS Med Chem Lett 8: 22-26 (2017) Article DOI: 10.1021/acsmedchemlett.6b00395 BindingDB Entry DOI: 10.7270/Q2NS0WWV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50270276 (CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...) Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50210069 (CHEMBL3884841) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C125H188N34O30/c1-15-66(6)98-116(185)139-64-95(165)144-92(62-97(168)169)115(184)159-124(13,119(188)155-89(57-73-32-23-22-24-33-73)112(181)153-91(61-94(127)164)109(178)141-70(10)104(173)150-88(59-75-41-45-78(162)46-42-75)111(180)152-87(58-74-39-43-77(161)44-40-74)108(177)140-69(9)102(171)146-82(37-30-54-136-122(131)132)105(174)145-81(101(128)170)36-29-53-135-121(129)130)51-27-20-18-19-21-28-52-125(14,120(189)157-98)158-114(183)83(38-31-55-137-123(133)134)148-110(179)86(56-65(4)5)151-107(176)85(48-50-96(166)167)149-106(175)84(47-49-93(126)163)147-103(172)71(11)142-117(186)100(68(8)17-3)156-113(182)90(60-76-63-138-80-35-26-25-34-79(76)80)154-118(187)99(67(7)16-2)143-72(12)160/h18-19,22-26,32-35,39-46,63,65-71,81-92,98-100,138,161-162H,15-17,20-21,27-31,36-38,47-62,64H2,1-14H3,(H2,126,163)(H2,127,164)(H2,128,170)(H,139,185)(H,140,177)(H,141,178)(H,142,186)(H,143,160)(H,144,165)(H,145,174)(H,146,171)(H,147,172)(H,148,179)(H,149,175)(H,150,173)(H,151,176)(H,152,180)(H,153,181)(H,154,187)(H,155,188)(H,156,182)(H,157,189)(H,158,183)(H,159,184)(H,166,167)(H,168,169)(H4,129,130,135)(H4,131,132,136)(H4,133,134,137)/t66-,67-,68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,124-,125-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...				ACS Med Chem Lett 8: 22-26 (2017) Article DOI: 10.1021/acsmedchemlett.6b00395 BindingDB Entry DOI: 10.7270/Q2NS0WWV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50270276 (CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...) Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035696 (1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...) Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035696 (1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...) Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50270277 (Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmeth...) Show SMILES C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1 Show InChI InChI=1S/C25H39N5/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30/h1-3,6-11,26-29H,4-5,12-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035719 (1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradec...) Show SMILES Cc1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C18H32N4/c1-17-4-6-18(7-5-17)16-22-14-3-10-20-12-11-19-8-2-9-21-13-15-22/h4-7,19-21H,2-3,8-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...				J Biol Chem 282: 27354-65 (2007) Article DOI: 10.1074/jbc.M704739200 BindingDB Entry DOI: 10.7270/Q26Q1X1Q
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50369468 (CHEMBL1202231) Show SMILES C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1 Show InChI InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AnorMED Inc. Curated by ChEMBL					Assay Description Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...				J Med Chem 42: 3971-81 (1999) BindingDB Entry DOI: 10.7270/Q2K0750M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035696 (1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...) Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AnorMED Inc. Curated by ChEMBL					Assay Description Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...				J Med Chem 42: 3971-81 (1999) BindingDB Entry DOI: 10.7270/Q2K0750M
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50210070 (CHEMBL3883565) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C120H186N34O31/c1-16-63(7)93-111(181)134-61-90(161)139-85(59-92(164)165)110(180)154-119(14,114(184)150-83(55-70-32-25-24-26-33-70)107(177)148-84(58-88(122)159)104(174)136-67(11)99(169)145-82(57-72-39-43-74(157)44-40-72)106(176)147-81(56-71-37-41-73(156)42-38-71)103(173)135-66(10)97(167)141-76(35-30-52-131-117(126)127)100(170)140-75(96(123)166)34-29-51-130-116(124)125)49-27-22-20-21-23-28-50-120(15,115(185)152-93)153-109(179)77(36-31-53-132-118(128)129)143-105(175)80(54-62(5)6)146-102(172)79(46-48-91(162)163)144-101(171)78(45-47-87(121)158)142-98(168)68(12)137-112(182)95(65(9)18-3)151-108(178)86(60-133-89(160)19-4)149-113(183)94(64(8)17-2)138-69(13)155/h19-21,24-26,32-33,37-44,62-68,75-86,93-95,156-157H,4,16-18,22-23,27-31,34-36,45-61H2,1-3,5-15H3,(H2,121,158)(H2,122,159)(H2,123,166)(H,133,160)(H,134,181)(H,135,173)(H,136,174)(H,137,182)(H,138,155)(H,139,161)(H,140,170)(H,141,167)(H,142,168)(H,143,175)(H,144,171)(H,145,169)(H,146,172)(H,147,176)(H,148,177)(H,149,183)(H,150,184)(H,151,178)(H,152,185)(H,153,179)(H,154,180)(H,162,163)(H,164,165)(H4,124,125,130)(H4,126,127,131)(H4,128,129,132)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,119-,120-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...				ACS Med Chem Lett 8: 22-26 (2017) Article DOI: 10.1021/acsmedchemlett.6b00395 BindingDB Entry DOI: 10.7270/Q2NS0WWV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315290 (CHEMBL1093008 | N-[(1H-Benzo[d]midazol-2-yl)methyl...) Show SMILES NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50081406 (1,5,8,11-tetraazacyclotetradecanyl[4-(1,5,8,11-tet...) Show SMILES C(N1CCCNCCNCCNCCC1)c1ccc(CN2CCCNCCNCCNCCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-13-17-33-18-14-30-10-2-22-35(21-1)25-27-5-7-28(8-6-27)26-36-23-3-11-31-15-19-34-20-16-32-12-4-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
AnorMED Inc. Curated by ChEMBL					Assay Description Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...				J Med Chem 42: 3971-81 (1999) BindingDB Entry DOI: 10.7270/Q2K0750M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315295 (CHEMBL1088912 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315297 (CHEMBL1088916 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315291 ((Z)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NC\C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315298 (CHEMBL1092301 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C23H31N5/c1-27(2)15-5-6-16-28(17-22-25-19-11-3-4-12-20(19)26-22)21-13-7-9-18-10-8-14-24-23(18)21/h3-4,8,10-12,14,21H,5-7,9,13,15-17H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379157 (CHEMBL1234899 | US8703811, 57) Show SMILES Cc1nc2cc(OC(F)(F)F)ccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H14F3N3O2S/c1-9-21-12-8-11(25-17(18,19)20)4-5-13(12)23(9)15-7-6-14(26-15)16(24)22-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 using bufuralol as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50210069 (CHEMBL3884841) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C125H188N34O30/c1-15-66(6)98-116(185)139-64-95(165)144-92(62-97(168)169)115(184)159-124(13,119(188)155-89(57-73-32-23-22-24-33-73)112(181)153-91(61-94(127)164)109(178)141-70(10)104(173)150-88(59-75-41-45-78(162)46-42-75)111(180)152-87(58-74-39-43-77(161)44-40-74)108(177)140-69(9)102(171)146-82(37-30-54-136-122(131)132)105(174)145-81(101(128)170)36-29-53-135-121(129)130)51-27-20-18-19-21-28-52-125(14,120(189)157-98)158-114(183)83(38-31-55-137-123(133)134)148-110(179)86(56-65(4)5)151-107(176)85(48-50-96(166)167)149-106(175)84(47-49-93(126)163)147-103(172)71(11)142-117(186)100(68(8)17-3)156-113(182)90(60-76-63-138-80-35-26-25-34-79(76)80)154-118(187)99(67(7)16-2)143-72(12)160/h18-19,22-26,32-35,39-46,63,65-71,81-92,98-100,138,161-162H,15-17,20-21,27-31,36-38,47-62,64H2,1-14H3,(H2,126,163)(H2,127,164)(H2,128,170)(H,139,185)(H,140,177)(H,141,178)(H,142,186)(H,143,160)(H,144,165)(H,145,174)(H,146,171)(H,147,172)(H,148,179)(H,149,175)(H,150,173)(H,151,176)(H,152,180)(H,153,181)(H,154,187)(H,155,188)(H,156,182)(H,157,189)(H,158,183)(H,159,184)(H,166,167)(H,168,169)(H4,129,130,135)(H4,131,132,136)(H4,133,134,137)/t66-,67-,68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,124-,125-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...				ACS Med Chem Lett 8: 22-26 (2017) Article DOI: 10.1021/acsmedchemlett.6b00395 BindingDB Entry DOI: 10.7270/Q2NS0WWV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315288 (CHEMBL1092324 | N-[(1H-Benzo[d]imidazol-2-yl)methy...) Show SMILES NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1 Show InChI InChI=1S/C25H27N5/c26-15-18-10-12-19(13-11-18)16-30(17-24-28-21-7-1-2-8-22(21)29-24)23-9-3-5-20-6-4-14-27-25(20)23/h1-2,4,6-8,10-14,23H,3,5,9,15-17,26H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315292 ((E)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NC\C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315299 (CHEMBL1092302 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C22H29N5/c1-23-13-4-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20,23H,4-6,8,12-13,15-16H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315287 ((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315302 (CHEMBL1089434 | N-(2-Pyridinylmethyl)-N'-(1H-benzi...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1 Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315300 (5-(((1H-Benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetr...) Show SMILES N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C22H25N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12,15-16H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315296 (CHEMBL1092596 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C22H29N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12-13,15-16,23H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315293 (CHEMBL1089846 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C21H23N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	973	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315294 (CHEMBL1093302 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...) Show SMILES NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C19H23N5/c20-10-12-24(13-18-22-15-7-1-2-8-16(15)23-18)17-9-3-5-14-6-4-11-21-19(14)17/h1-2,4,6-8,11,17H,3,5,9-10,12-13,20H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315289 (CHEMBL1088867 | N-[(1H-Benzo[d]midazol-2-yl)methyl...) Show SMILES NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c1 Show InChI InChI=1S/C25H27N5/c26-15-18-6-3-7-19(14-18)16-30(17-24-28-21-10-1-2-11-22(21)29-24)23-12-4-8-20-9-5-13-27-25(20)23/h1-3,5-7,9-11,13-14,23H,4,8,12,15-17,26H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50379150 (CHEMBL2012961) Show SMILES Cc1cc(F)c2ncn(-c3ccc(s3)C(=O)NC3CC3)c2c1 Show InChI InChI=1S/C16H14FN3OS/c1-9-6-11(17)15-12(7-9)20(8-18-15)14-5-4-13(22-14)16(21)19-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human DHODH after 20 mins by 2,6-dichloroindophenol-reduction based assay				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315301 (CHEMBL1092629 | N-((1H-Benzo[d]imidazol-2-yl)methy...) Show SMILES NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C21H25N5O/c22-12-4-11-20(27)26(14-19-24-16-8-1-2-9-17(16)25-19)18-10-3-6-15-7-5-13-23-21(15)18/h1-2,5,7-9,13,18H,3-4,6,10-12,14,22H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50369469 (CHEMBL1202230) Show SMILES C(N1CCNCc2cccc(CNCC1)n2)c1ccc(CN2CCNCc3cccc(CNCC2)n3)cc1 Show InChI InChI=1S/C30H42N8/c1-3-27-19-31-11-15-37(16-12-32-20-28(4-1)35-27)23-25-7-9-26(10-8-25)24-38-17-13-33-21-29-5-2-6-30(36-29)22-34-14-18-38/h1-10,31-34H,11-24H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
AnorMED Inc. Curated by ChEMBL					Assay Description Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...				J Med Chem 42: 3971-81 (1999) BindingDB Entry DOI: 10.7270/Q2K0750M
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50379152 (CHEMBL2012963) Show SMILES Fc1cc(Cl)c2ncn(-c3ccc(s3)C(=O)NC3CC3)c2c1 Show InChI InChI=1S/C15H11ClFN3OS/c16-10-5-8(17)6-11-14(10)18-7-20(11)13-4-3-12(22-13)15(21)19-9-1-2-9/h3-7,9H,1-2H2,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human DHODH after 20 mins by 2,6-dichloroindophenol-reduction based assay				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50081405 (15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptade...) Show SMILES Clc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(Cl)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2 Show InChI InChI=1S/C34H48Cl2N8/c35-29-17-31-21-37-9-1-13-43(14-2-10-38-22-32(18-29)41-31)25-27-5-7-28(8-6-27)26-44-15-3-11-39-23-33-19-30(36)20-34(42-33)24-40-12-4-16-44/h5-8,17-20,37-40H,1-4,9-16,21-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
AnorMED Inc. Curated by ChEMBL					Assay Description Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...				J Med Chem 42: 3971-81 (1999) BindingDB Entry DOI: 10.7270/Q2K0750M
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50379153 (CHEMBL2012964) Show SMILES Cc1cc(F)c2n(cnc2c1)-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C16H14FN3OS/c1-9-6-11(17)15-12(7-9)18-8-20(15)14-5-4-13(22-14)16(21)19-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human DHODH after 20 mins by 2,6-dichloroindophenol-reduction based assay				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled IL8 from CXCR2 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled IL8 from CXCR2 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled IL8 from CXCR1 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled IL8 from CXCR1 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP1beta from CCR5 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP1beta from CCR5 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled TARC from CCR4 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled TARC from CCR4 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50379138 (CHEMBL2012951) Show SMILES Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1 Show InChI InChI=1S/C17H15F2N3O2S/c1-9-20-15-11(3-2-4-12(15)24-17(18)19)22(9)14-8-7-13(25-14)16(23)21-10-5-6-10/h2-4,7-8,10,17H,5-6H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 using phenacetin as substrate after 10 mins by LC-MS/MS analysis				ACS Med Chem Lett 2: 708-713 (2011) Article DOI: 10.1021/ml200143c BindingDB Entry DOI: 10.7270/Q2C24XDS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50315303 ((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...) Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r| Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled MCP1 from CCR2b receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50315305 ((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...) Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of radiolabeled MIP1alpha from CCR1 receptor				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 85 total )  |  Next  |  Last  >>

Jump to: