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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'guilbaud' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053877
PNG
(Allyl-(9-allyl-2-{4-[2,2-bis-(4-fluoro-phenyl)-eth...)
Show SMILES Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)c2ncn(CC=C)c2n1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2N7/c1-3-15-33-28-27-29(39(16-4-2)20-35-27)37-30(36-28)38-17-13-25(14-18-38)34-19-26(21-5-9-23(31)10-6-21)22-7-11-24(32)12-8-22/h3-12,20,25-26,34H,1-2,13-19H2,(H,33,36,37)
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5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053873
PNG
(Allyl-(9-allyl-2-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-31-30-32(40(17-5-2)22-36-30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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12n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053900
PNG
(Allyl-(9-allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1Cc2ccccc2Cc2ccccc12
Show InChI InChI=1S/C32H37N7/c1-3-15-33-30-29-31(39(16-4-2)22-35-29)37-32(36-30)38-17-13-27(14-18-38)34-21-26-20-24-10-6-5-9-23(24)19-25-11-7-8-12-28(25)26/h3-12,22,26-27,34H,1-2,13-21H2,(H,33,36,37)
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46n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053872
PNG
(Allyl-(2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclohe...)
Show SMILES CCCn1cnc2c(NCC=C)nc(nc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H39N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3,5-12,22,25,28,34H,1,4,13-21H2,2H3,(H,33,36,37)
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48n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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58n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053880
PNG
(Allyl-(9-allyl-6-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3CCc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C32H37N7/c1-3-17-33-32-36-30(29-31(37-32)39(18-4-2)22-35-29)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-12,22,25,28,34H,1-2,13-21H2,(H,33,36,37)
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62n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053892
PNG
(Allyl-(9-allyl-2-{4-[(6,7,8,9-tetrahydro-5H-benzoc...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1CCCCc2ccccc12
Show InChI InChI=1S/C28H37N7/c1-3-15-29-26-25-27(35(16-4-2)20-31-25)33-28(32-26)34-17-13-23(14-18-34)30-19-22-11-6-5-9-21-10-7-8-12-24(21)22/h3-4,7-8,10,12,20,22-23,30H,1-2,5-6,9,11,13-19H2,(H,29,32,33)
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62n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053891
PNG
((9-Allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d]cyclo...)
Show SMILES CCCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H39N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h4-12,22,25,28,34H,2-3,13-21H2,1H3,(H,33,36,37)
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84n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053885
PNG
(Allyl-(9-allyl-2-{4-[(8-chloro-11-methyl-10,10-dio...)
Show SMILES CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)c3ncn(CC=C)c3n2)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C31H35ClN8O2S/c1-4-14-33-29-28-30(40(15-5-2)20-35-28)37-31(36-29)39-16-12-22(13-17-39)34-19-25-23-8-6-7-9-26(23)38(3)43(41,42)27-18-21(32)10-11-24(25)27/h4-11,18,20,22,25,34H,1-2,12-17,19H2,3H3,(H,33,36,37)
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87n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053888
PNG
(CHEMBL85156 | N,N'-Diallyl-6-{4-[2,2-bis-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N7/c1-3-15-31-26-34-27(32-16-4-2)36-28(35-26)37-17-13-24(14-18-37)33-19-25(20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h3-12,24-25,33H,1-2,13-19H2,(H2,31,32,34,35,36)
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89n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053871
PNG
(Allyl-(9-allyl-6-{4-[(5H-dibenzo[a,d]cyclohepten-5...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3C=Cc3ccccc23)c2ncn(CC=C)c2n1 |c:24|
Show InChI InChI=1S/C32H35N7/c1-3-17-33-32-36-30(29-31(37-32)39(18-4-2)22-35-29)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-14,22,25,28,34H,1-2,15-21H2,(H,33,36,37)
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90n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053896
PNG
(Allyl-(9-allyl-6-{4-[(6,11-dihydro-dibenzo[b,e]oxe...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCC2c3ccccc3COc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C31H35N7O/c1-3-15-32-31-35-29(28-30(36-31)38(16-4-2)21-34-28)37-17-13-23(14-18-37)33-19-26-24-10-6-5-9-22(24)20-39-27-12-8-7-11-25(26)27/h3-12,21,23,26,33H,1-2,13-20H2,(H,32,35,36)
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93n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053895
PNG
(Allyl-(9-allyl-2-{4-[(2,3,4-trimethoxy-10,11-dihyd...)
Show SMILES COc1cc2CCc3ccccc3C(CNC3CCN(CC3)c3nc(NCC=C)c4ncn(CC=C)c4n3)c2c(OC)c1OC
Show InChI InChI=1S/C35H43N7O3/c1-6-16-36-33-30-34(42(17-7-2)22-38-30)40-35(39-33)41-18-14-25(15-19-41)37-21-27-26-11-9-8-10-23(26)12-13-24-20-28(43-3)31(44-4)32(45-5)29(24)27/h6-11,20,22,25,27,37H,1-2,12-19,21H2,3-5H3,(H,36,39,40)
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99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053893
PNG
(Allyl-(9-allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)nc4n(CC=C)cnc34)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-33-37-31(30-32(38-33)40(17-5-2)22-36-30)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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110n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053870
PNG
(Allyl-(9-allyl-2-{4-[(6,11-dihydro-dibenzo[b,e]oxe...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2COc2ccccc12
Show InChI InChI=1S/C31H35N7O/c1-3-15-32-29-28-30(38(16-4-2)21-34-28)36-31(35-29)37-17-13-23(14-18-37)33-19-26-24-10-6-5-9-22(24)20-39-27-12-8-7-11-25(26)27/h3-12,21,23,26,33H,1-2,13-20H2,(H,32,35,36)
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120n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053875
PNG
(Allyl-(9-allyl-2-{4-[(5H-dibenzo[a,d]cyclohepten-5...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2C=Cc2ccccc12 |c:35|
Show InChI InChI=1S/C32H35N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-14,22,25,28,34H,1-2,15-21H2,(H,33,36,37)
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170n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053898
PNG
(Allyl-(9-allyl-6-{4-[(8-chloro-11-methyl-10,10-dio...)
Show SMILES CN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)nc3n(CC=C)cnc23)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C31H35ClN8O2S/c1-4-14-33-31-36-29(28-30(37-31)40(15-5-2)20-35-28)39-16-12-22(13-17-39)34-19-25-23-8-6-7-9-26(23)38(3)43(41,42)27-18-21(32)10-11-24(25)27/h4-11,18,20,22,25,34H,1-2,12-17,19H2,3H3,(H,33,36,37)
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170n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053883
PNG
(Allyl-(7-allyl-2-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)ccc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C33H38N6/c1-3-18-34-31-29-17-22-38(19-4-2)32(29)37-33(36-31)39-20-15-26(16-21-39)35-23-30-27-11-7-5-9-24(27)13-14-25-10-6-8-12-28(25)30/h3-12,17,22,26,30,35H,1-2,13-16,18-21,23H2,(H,34,36,37)
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200n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053884
PNG
(Allyl-(1-allyl-6-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)ncc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H37N7/c1-3-17-33-30-29-22-35-39(18-4-2)31(29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h3-12,22,25,28,34H,1-2,13-21H2,(H,33,36,37)
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270n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053881
PNG
(Allyl-(1-allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-d...)
Show SMILES COc1ccc2C(CNC3CCN(CC3)c3nc(NCC=C)c4cnn(CC=C)c4n3)c3ccccc3CCc2c1
Show InChI InChI=1S/C33H39N7O/c1-4-16-34-31-30-22-36-40(17-5-2)32(30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h4-9,12-13,20,22,25,29,35H,1-2,10-11,14-19,21H2,3H3,(H,34,37,38)
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400n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053874
PNG
(Allyl-{9-allyl-2-[4-(2,2,2-triphenyl-ethylamino)-p...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N7/c1-3-22-37-33-32-34(43(23-4-2)27-39-32)41-35(40-33)42-24-20-31(21-25-42)38-26-36(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h3-19,27,31,38H,1-2,20-26H2,(H,37,40,41)
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410n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053890
PNG
((1-Allyl-6-{4-[(2-methoxy-10,11-dihydro-5H-dibenzo...)
Show SMILES CCCNc1nc(nc2n(CC=C)ncc12)N1CCC(CC1)NCC1c2ccccc2CCc2cc(OC)ccc12
Show InChI InChI=1S/C33H41N7O/c1-4-16-34-31-30-22-36-40(17-5-2)32(30)38-33(37-31)39-18-14-25(15-19-39)35-21-29-27-9-7-6-8-23(27)10-11-24-20-26(41-3)12-13-28(24)29/h5-9,12-13,20,22,25,29,35H,2,4,10-11,14-19,21H2,1,3H3,(H,34,37,38)
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420n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053901
PNG
(Allyl-(9-allyl-2-{4-[(naphthalen-1-ylmethyl)-amino...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCc1cccc2ccccc12
Show InChI InChI=1S/C27H31N7/c1-3-14-28-25-24-26(34(15-4-2)19-30-24)32-27(31-25)33-16-12-22(13-17-33)29-18-21-10-7-9-20-8-5-6-11-23(20)21/h3-11,19,22,29H,1-2,12-18H2,(H,28,31,32)
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440n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053899
PNG
(Allyl-(9-allyl-2-{4-[(10,10-dioxo-11-propyl-10,11-...)
Show SMILES CCCN1c2ccccc2C(CNC2CCN(CC2)c2nc(NCC=C)c3ncn(CC=C)c3n2)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C33H40N8O2S/c1-4-17-34-31-30-32(40(18-5-2)23-36-30)38-33(37-31)39-20-15-24(16-21-39)35-22-27-25-11-7-9-13-28(25)41(19-6-3)44(42,43)29-14-10-8-12-26(27)29/h4-5,7-14,23-24,27,35H,1-2,6,15-22H2,3H3,(H,34,37,38)
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490n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053889
PNG
(Allyl-{9-allyl-2-[4-(6,11-dihydro-dibenzo[b,e]oxep...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NC1c2ccccc2COc2ccccc12
Show InChI InChI=1S/C30H33N7O/c1-3-15-31-28-27-29(37(16-4-2)20-32-27)35-30(34-28)36-17-13-22(14-18-36)33-26-23-10-6-5-9-21(23)19-38-25-12-8-7-11-24(25)26/h3-12,20,22,26,33H,1-2,13-19H2,(H,31,34,35)
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550n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053886
PNG
((2-{4-[(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5...)
Show SMILES CCCNc1nc(nc2n(CCC)cnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C32H41N7/c1-3-17-33-30-29-31(39(18-4-2)22-35-29)37-32(36-30)38-19-15-25(16-20-38)34-21-28-26-11-7-5-9-23(26)13-14-24-10-6-8-12-27(24)28/h5-12,22,25,28,34H,3-4,13-21H2,1-2H3,(H,33,36,37)
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560n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053878
PNG
(Allyl-{9-allyl-6-[4-(10,11-dihydro-5H-dibenzo[a,d]...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NC2c3ccccc3CCc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C31H35N7/c1-3-17-32-31-35-29(28-30(36-31)38(18-4-2)21-33-28)37-19-15-24(16-20-37)34-27-25-11-7-5-9-22(25)13-14-23-10-6-8-12-26(23)27/h3-12,21,24,27,34H,1-2,13-20H2,(H,32,35,36)
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620n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053897
PNG
(Allyl-{9-allyl-2-[4-(2,2-diphenyl-ethylamino)-pipe...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H35N7/c1-3-17-31-28-27-29(37(18-4-2)22-33-27)35-30(34-28)36-19-15-25(16-20-36)32-21-26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h3-14,22,25-26,32H,1-2,15-21H2,(H,31,34,35)
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630n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053882
PNG
(CHEMBL340348 | [1-(9-Allyl-6-allylamino-9H-purin-2...)
Show SMILES CN1c2ccccc2C(NC2CCN(CC2)c2nc(NCC=C)c3ncn(CC=C)c3n2)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C30H33ClN8O2S/c1-4-14-32-28-27-29(39(15-5-2)19-33-27)36-30(35-28)38-16-12-21(13-17-38)34-26-22-8-6-7-9-24(22)37(3)42(40,41)25-18-20(31)10-11-23(25)26/h4-11,18-19,21,26,34H,1-2,12-17H2,3H3,(H,32,35,36)
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650n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053882
PNG
(CHEMBL340348 | [1-(9-Allyl-6-allylamino-9H-purin-2...)
Show SMILES CN1c2ccccc2C(NC2CCN(CC2)c2nc(NCC=C)c3ncn(CC=C)c3n2)c2ccc(Cl)cc2S1(=O)=O
Show InChI InChI=1S/C30H33ClN8O2S/c1-4-14-32-28-27-29(39(15-5-2)19-33-27)36-30(35-28)38-16-12-21(13-17-38)34-26-22-8-6-7-9-24(22)37(3)42(40,41)25-18-20(31)10-11-23(25)26/h4-11,18-19,21,26,34H,1-2,12-17H2,3H3,(H,32,35,36)
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650n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053876
PNG
(Allyl-{9-allyl-2-[4-(10,11-dihydro-5H-dibenzo[a,d]...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H35N7/c1-3-17-32-29-28-30(38(18-4-2)21-33-28)36-31(35-29)37-19-15-24(16-20-37)34-27-25-11-7-5-9-22(25)13-14-23-10-6-8-12-26(23)27/h3-12,21,24,27,34H,1-2,13-20H2,(H,32,35,36)
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770n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053887
PNG
(Allyl-(3-allyl-5-{4-[(10,11-dihydro-5H-dibenzo[a,d...)
Show SMILES C=CCNc1nc(nc2n(CC=C)nnc12)N1CCC(CC1)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36N8/c1-3-17-32-29-28-30(39(18-4-2)37-36-28)35-31(34-29)38-19-15-24(16-20-38)33-21-27-25-11-7-5-9-22(25)13-14-23-10-6-8-12-26(23)27/h3-12,24,27,33H,1-2,13-21H2,(H,32,34,35)
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860n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053879
PNG
(Allyl-(9-allyl-6-{4-[(naphthalen-1-ylmethyl)-amino...)
Show SMILES C=CCNc1nc(N2CCC(CC2)NCc2cccc3ccccc23)c2ncn(CC=C)c2n1
Show InChI InChI=1S/C27H31N7/c1-3-14-28-27-31-25(24-26(32-27)34(15-4-2)19-30-24)33-16-12-22(13-17-33)29-18-21-10-7-9-20-8-5-6-11-23(20)21/h3-11,19,22,29H,1-2,12-18H2,(H,28,31,32)
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1.60E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus)
BDBM50053894
PNG
(11-{[1-(9-Allyl-6-allylamino-9H-purin-2-yl)-piperi...)
Show SMILES C=CCNc1nc(nc2n(CC=C)cnc12)N1CCC(CC1)NCC1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1S/C31H34N8O/c1-3-15-32-28-27-29(39(16-4-2)20-34-27)37-31(36-28)38-17-13-21(14-18-38)33-19-25-22-9-5-6-11-24(22)30(40)35-26-12-8-7-10-23(25)26/h3-12,20-21,25,33H,1-2,13-19H2,(H,35,40)(H,32,36,37)
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3.70E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle


J Med Chem 39: 4099-108 (1996)


Article DOI: 10.1021/jm960361i
BindingDB Entry DOI: 10.7270/Q2Q81C52
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50452012
PNG
(CHEMBL2110187)
Show SMILES Clc1cccc(c1)N1Cc2ccccc2C[C@H](NCc2cncn2Cc2ccc(cc2)C#N)C1=O |r|
Show InChI InChI=1S/C28H24ClN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2/t27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50131941
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanylmethyl)-N-hydrox...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)CSc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O3S/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 1.20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131944
PNG
(2-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-5-(...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H22N4O3S/c30-24-20-3-1-2-4-21(20)27-28-29(24)15-18-7-10-22(23(18)25(31)32)33-19-8-5-16(6-9-19)17-11-13-26-14-12-17/h1-6,8-9,11-14,18,22-23H,7,10,15H2,(H,31,32)/t18-,22-,23-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50092365
PNG
((R)-1-((1H-imidazol-5-yl)methyl)-3-benzyl-4-(thiop...)
Show SMILES O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)C[C@H]1Cc1ccccc1)C#N)c1cccs1
Show InChI InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of farnesyltransferase


Bioorg Med Chem Lett 14: 767-71 (2004)


BindingDB Entry DOI: 10.7270/Q2348JSW
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131964
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(3-oxo-6,7,8...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nc3CCCCCn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H28ClN3O3S/c27-20-10-5-17(6-11-20)18-7-12-21(13-8-18)34-22-14-9-19(24(22)25(31)32)16-30-26(33)29-15-3-1-2-4-23(29)28-30/h5-8,10-13,19,22,24H,1-4,9,14-16H2,(H,31,32)/t19-,22-,24-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50131962
PNG
(2-(4'-Chloro-biphenyl-4-sulfonyl)-5-(4-oxo-4H-benz...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O5S/c27-19-10-5-16(6-11-19)17-7-12-20(13-8-17)36(34,35)23-14-9-18(24(23)26(32)33)15-30-25(31)21-3-1-2-4-22(21)28-29-30/h1-8,10-13,18,23-24H,9,14-15H2,(H,32,33)/t18-,23-,24-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
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